以實驗為錨點的計算材料科學。
M3 Lab 研究金屬、陶瓷、複合材料與場輔助製程中的奈米尺度與微結構機制。本網站將研究更新、成員、消息與論文整理為內容檔案，方便持續維護。
聖地牙哥州立大學 / 機械工程
材料多尺度建模實驗室 (M3 Lab)
我們結合模擬、微結構表徵 (microstructure characterization) 與場輔助製程 (field-assisted processing)，從原子尺度到工程結構理解並設計材料。
5進行中的研究主題
70現任成員與校友名錄
11精選發表論文
10研究經費與贊助計畫
實驗室使命
跨尺度建模與驗證材料科學問題。
核心問題
我們關注的科學問題。
電場與奈秒脈衝如何改變晶界結構與遷移率 (grain-boundary mobility)？
哪些機制控制 8YSZ 中的閃速燒結 (flash sintering) 與電流驅動陶瓷製程？
原子尺度、連續體與有限元素模型如何在不同尺度間傳遞有用資訊？
哪些微結構描述子最能預測變形、擴散與製程反應？
研究
研究計畫。
目前研究連結原子尺度模擬、微結構表徵、場輔助製程與資料驅動材料設計。
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AI/ML
材料微結構與製程的 AI/ML
資料驅動模型可協助連結製程條件、微結構描述子與材料反應。
本實驗室運用機器學習概念加速多尺度建模，並尋找模擬微結構、製程路徑與材料性質之間可解釋的連結。
方法
查看計畫詳情機器學習 (machine learning)特徵工程 (feature engineering)多尺度資料 (multiscale data)模型驗證 (model validation)
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ENP
電奈米脈衝 (ENP) 與晶界工程
奈秒電脈衝可能提供操控晶界並設計更高強度材料的新路徑。
此計畫研究短而強的電脈衝是否能改變晶界結構，並為先進材料開啟新的製程路徑。研究結合多物理場建模、奈米尺度機制假說與微結構證據。
方法
查看計畫詳情有限元素分析 (FEA)原子尺度建模 (atomistic modeling)顯微分析 (microscopy)電脈衝處理 (electrical pulsing)
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閃速燒結 (Flash Sintering)
閃速燒結與電流驅動陶瓷製程
場輔助陶瓷製程可加速緻密化，並揭示電流、熱、缺陷與微結構之間的新耦合關係。
本實驗室研究 8 mol% 氧化釔穩定氧化鋯 (8YSZ) 與相關陶瓷系統，以理解電場、溫度與微結構在快速燒結中的交互作用。
方法
查看計畫詳情分子動力學 (molecular dynamics)原位 SEM (in-situ SEM)樣品製備8YSZ 製程
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表徵 (Characterization)
微結構表徵與 3D/4D 成像
顯微術、繞射與三維重建為製程-結構-性質關係提供證據。
實驗表徵為實驗室的建模工作提供基礎，協助團隊以微結構、變形與製程證據檢驗機制。
方法
查看計畫詳情SEMTEMX 光繞射 (XRD)斷層成像 (tomography)三維重建
建模 (Modeling)
多尺度建模：DFT、MD、FEA、連續體
計算方法連結電子、原子、微結構與元件尺度，用於材料設計。
M3 Lab 開發並應用跨長度尺度的建模流程，以模擬詮釋機制並連結材料結構與性能。
方法
查看計畫詳情DFT分子動力學 (molecular dynamics)有限元素分析 (FEA)連續體建模 (continuum modeling)
計畫詳情
詳細研究方向。
下方每個計畫摘要會延伸概覽卡片，提供研究重點與方法，方便需要更多脈絡的讀者。
發表論文
精選論文，可依主題篩選。
精選 11 篇近期且具代表性的 M3 Lab 與合作研究論文。
顯示 11 共 11 篇論文
Interfacial relay trapping of hydrogen in metastable austenitic steel: A molecular dynamics study
W. Xu and M. Koyama. Materials Today Communications, Volume 53, Article 115329.
Localized Grain Boundary Engineering via Thermal-Elastic Processing (TEP)
W. Xu, M. Alfaro, R. Jiang, S. Sotero, J. Burns, A. Contreras, C. Delaney, C. Foronda, and M. Pavao. TMS 2026 155th Annual Meeting and Exhibition Supplemental Proceedings, 763-774.
Localized plasticity, transformation, and martensite cracking in hydrogen-charged metastable austenitic stainless steel studied by in situ electron channeling contrast imaging
M. Koyama, Z. Yang, W. Xu, and E. Akiyama. Materials Characterization, Volume 233, Article 116127.
Electric Nanosecond Pulsing Assisted Sintering as a Transformative Paradigm for Non-Equilibrium Processing of Powder Materials
R. Jiang, E. Torresani, W. Xu, A. Maximenko, and E. A. Olevsky. ENGINEERING Transformative Materials.
Electric current-induced quasi-instantaneous precipitation behavior in nanoseconds
R. Jiang, W. Xu, E. Torresani, and E. A. Olevsky. Materials and Design, Volume 257.
High dislocation density formation in metallic materials by ultra-intense nanopulsing electric current
W. Xu, R. Jiang, M. Xu, C. Delaney, Y. Yang, E. Torresani, M. Shaikh, Y. Yan, and E. A. Olevsky. Journal of Alloys and Compounds, Volume 1025.
Machine learning-enabled multiscale modeling of mechanical deformation of aluminum and Al-SiC nanocomposites
M. S. Hasan, H. Bayat, W. de Jong, and W. Xu. Materials and Design.
Localized engineering of grain boundary morphology by electro-nano-pulsing processing
W. Xu, R. Jiang, M. Xu, and E. A. Olevsky. Materials Today Advances, Volume 20.
Effect of external electric field on diffusivity and flash sintering of 8YSZ: A molecular dynamics study
W. Xu, E. A. Olevsky, and collaborators. Acta Materialia, Volume 206.
Deformation nanomechanics and dislocation quantification at the atomic scale in nanocrystalline magnesium
M. S. Hasan, R. Lee, and W. Xu. Journal of Magnesium and Alloys, Volume 8, Issue 4.
A bimodal microstructure for fatigue resistant metals by molecular dynamics simulations
W. Xu, M. S. Hasan, and collaborators. Computational Materials Science, Volume 160.
研究經費
支持 M3 Lab 研究的贊助計畫。
目前與近期支持材料建模、製程、表徵與教育創新的研究經費。
CSU GUIDE - AI-JUDGE: Cultivating Computational Judgment in Undergraduate STEM via Intentionally Fallible Generative AI
California State University Chancellor's Office. PI: Wenwu Xu (San Diego State University); Co-PIs: Luwen (Vivian) Huangfu (San Diego State University) and Ashley Ringer McDonald (California Polytechnic State University, San Luis Obispo). Amount: $80,000. Period: Aug. 15, 2026-Aug. 14, 2027. This multi-campus project will develop and validate AI-JUDGE to help undergraduate students identify and correct scientifically inaccurate AI-generated simulation code. It will support six paid undergraduate research assistants, engage approximately 100 students through course-integrated activities, and prepare a follow-on NSF Improving Undergraduate STEM Education proposal.
CSU GUIDE program detailsASCEND Research and Leadership Program - Alliance of Hispanic Serving Research Universities (HSRU)
PI: Wenwu Xu. Amount: $199,772. Period: 2026-2027. Title: Thermal-Elastic Processing (TEP) for Defense-Relevant Localized Interface Engineering via Coupled Atomistic Modeling and in Situ Electron Microscopy. This project develops TEP as a localized interface-engineering strategy for defense-relevant structural metals, coupling atomistic modeling with in situ electron microscopy. The project is part of the inaugural ASCEND Research and Leadership Program cohort.
HSRU award pageW. M. Keck Foundation - New Materials Processing via Electro-Nano-Pulsing (ENP)
PI: Elisa Torresani; Co-PIs: Wenwu Xu and Eugene Olevsky. Amount: $1,200,000. Period: 2026-2028. This project develops electro-nano-pulsing as a new materials-processing approach for rapid, localized microstructural transformation and grain-boundary engineering in advanced materials.
SDSU award storyMolSSI / ACT-CMS Faculty Fellow
Molecular Sciences Software Institute. Period: 2025-2027. Project: Transforming Materials Modeling Education through LLM-Assisted Coding and HPC Integration for SDSU's Doctoral Engineering Program. This fellowship supports curriculum transformation in computational molecular/materials science through programming, data competency, computing, mentorship, and reusable curricular module development.
MolSSI fellows pageCSU STEM-NET Faculty Fellow
STEM-NET Faculty Fellows Grant Program, California State University Chancellor's Office. Faculty Fellow: Wenwu Xu. Award No. 132597-FFA-2025-1-SAN DIEGO. Amount to SDSU: $7,478, with additional institutional support. Period: 2025-2026. This fellowship supports CSU STEM faculty in developing collaborative research and education proposals, strengthening campus scholarship, and advancing STEM-NET's systemwide mission.
CSU STEM-NET pageNSF - ECCENTRIC: A Mechanism of Flash Sintering of Ionic Ceramics
PI: Wenwu Xu; Co-PI: Eugene Olevsky. Amount: $328,397. Period: 2019-2023. This project investigated the mechanisms of flash sintering in ionic ceramics through atomistic modeling and experimental studies of electric-field-assisted sintering processes.
NSF award pageDOE - Tailoring Grain-Boundaries by Electro-Nano-Pulsing (ENP)
PI: Eugene Olevsky; Co-PI: Wenwu Xu. Award No. DE-SC0022244. Amount: $467,000. Period: 2021-2024. This project developed electro-nano-pulsing approaches for localized grain-boundary engineering and rapid materials processing, supported by multiscale modeling and experiments.
DOE BES abstract bookSDSU Grants for Established RSCA
PI: Wenwu Xu. Amount: $15,000. Period: 2024. Title: Atomistic Structural Evolution of Electro-Nano-Pulsing Processing of Metals by Computer Simulation. This project supported atomistic computer simulations of structural evolution in metals under electro-nano-pulsing, including graduate-student support and computational resources for ENP modeling.
SDSU RSCA awardeesSDSU Faculty University Grants Program (UGP)
PI: Wenwu Xu. Amount: $10,000. Period: 2019-2020. Title: A Unique Experimental Apparatus for In-Situ Nanoscale Imaging of Electric Field Assisted Sintering Process. This project developed a coupled experimental and imaging setup for in-situ nanoscale SEM characterization of electric-current-assisted sintering processes, using yttria-stabilized zirconia as a benchmark material system.
SDSU UGP program pageCSU / CSUPERB - Nano-SCALPEL
PI: Wenwu Xu. Amount: $15,000. Period: 2019-2020. Title: Nano-SCALPEL: Nanoparticle Spinning Cutting, Ablation, Lysis in Plasma Environmental Liquid for Blood Clot Removal. This seed project explored magnetically actuated nanoparticle approaches for blood-clot removal.
CSUPERB award announcement團隊成員
主持人、研究生、大學生研究員與校友。
M3 Lab 匯聚研究生、大學生研究員、校友與合作夥伴，研究橫跨建模、製程與表徵。
主持人
主持人
Wenwu Xu
2017-present
Dr. Wenwu Xu received his Ph.D. in Materials Science and Engineering from Beijing University of Technology (China) in 2011. He then pursued postdoctoral research at Friedrich-Schiller-Universität Jena (Germany) in 2012 and The University of Manchester (U.K.) in 2013-2015. In 2016, he joined the Department of Materials Science and Engineering at the University of California, Merced as a postdoc and then as a lecturer. In August 2017, Dr. Xu joined the Department of Mechanical Engineering at San Diego State University as an Assistant Professor. In 2023, Dr. Xu became a tenured Associate Professor. He directs the Multiscale Modeling of Materials Lab, leading research that connects computational materials science, microstructure characterization, field-assisted processing, and nanoscale structure-property relationships.
現任研究生
博士生
Zeshan Ahmed
2026-present
計畫： Tailoring grain boundaries by electro-nano-pulsing
Zeshan studies electro-nano-pulsing and grain-boundary engineering using atomistic molecular dynamics and computational materials workflows.
碩士生
Jose Morales
2026-present
計畫： Hydrogen embrittlement mechanisms using molecular dynamics and grain-boundary free-volume modeling
Jose studies atomistic modeling of hydrogen effects, grain-boundary structures, and hydrogen embrittlement mechanisms.
碩士生
Carson Sutton
2026-present
計畫： Thermal-elastic-processing experiments and modeling
Carson studies thermal-elastic-processing, in-situ SEM experiments, and related modeling.
碩士生
James Burns
2025-present
計畫： Grain-boundary modeling for FEA/CPFEM and TEP-related modeling
James develops bimodal and serrated grain-boundary models for finite-element, CPFEM, and MD/FEA-based thermal-elastic-processing research. He has presented a poster at S3 and an oral presentation at TMS.
碩士生
Rebeca Contreras
2026-present
計畫： Flash-sintering mechanisms and ceramic sample preparation
Rebeca studies flash-sintering mechanisms through sample preparation, heat treatment, measurements, and SEM-based experimental characterization.
碩士生
Sherwin Navindaran
2020-present
計畫： Nano-SCALPEL blood-clot removal research
Sherwin studies Nano-SCALPEL, nanoparticle spinning cutting, ablation, and lysis in plasma environmental liquid for blood clot removal. He was awarded the 2022 SDSU Master's Research Scholarship.
M.Eng. Student
Maraon Bani
2026-present
計畫： Thermal-elastic-processing modeling
Maraon develops modeling and analysis for thermal-elastic-processing research in coordination with experimental studies.
大學生研究員
大學生研究員
Sky Soltero
2024-present
計畫： Flash-sintering experiments of 8YSZ
Sky studies flash-sintering experiments of 8 mol% yttria-stabilized zirconia and related materials characterization. She attended TMS 2025 and ICME 2025 and is associated with a 2026 TMS flash-sintering presentation.
大學生研究員
Marivel Alfaro
2024-present
計畫： TEP experiments and in-situ SEM tensile testing
Marivel works on thermal-elastic-processing experiments, in-situ SEM tensile testing, and experimental characterization. She attended TMS 2025 and ICME 2025 and is associated with a 2026 TMS presentation on TEP experiments.
大學生研究員
Theodore Norris
2025-present
計畫： Flash-sintering mechanisms and experiments
Theodore studies flash-sintering mechanisms through experiments and materials characterization.
大學生研究員
Adrian Contreras
2026-present
計畫： TEP experiments and characterization
Adrian works on thermal-elastic-processing experiments and characterization and is listed through the MESA Summer Undergraduate Research Academy.
大學生研究員
Zachary McLaughlin
2025-present
計畫： Electro-nano-pulsing technology
Zachary works on electro-nano-pulsing technology and related experiments.
大學生研究員
Henry Bahini
2026-present
計畫： LLM-assisted modeling and validation for thermal-elastic processing
Henry works with James Burns on LLM-assisted modeling and validation workflows for thermal-elastic-processing research.
Undergraduate Researcher / ME499 Student
Sean O'Grady
2026-present
計畫： Electro-nano-pulsing technology
Sean works on electro-nano-pulsing technology as an undergraduate researcher and ME499 student.
大學生研究員
Ethan Pudasaini
2026-present
計畫： Electro-nano-pulsing and thermal-elastic-processing experiments
Ethan works on electro-nano-pulsing and thermal-elastic-processing experiments, including sample preparation and experimental characterization.
Undergraduate Researcher / ME499 Student
Nicolas Mosqueda
2026-present
計畫： Electro-nano-pulsing technology
Nicolas works on electro-nano-pulsing technology as an undergraduate researcher and ME499 student.
大學生研究員
Anders Torgerson
2026-present
計畫： Electro-nano-pulsing experiments with copper wires
Anders works on electro-nano-pulsing experiments with copper wires and supports experimental development and documentation.
Undergraduate Researcher / MESA Summer Undergraduate Research Academy Intern
Isaiah Clemons
2026
計畫： TEP experiments and characterization of Cu
Isaiah works on thermal-elastic-processing experiments and characterization of copper as a 2026 MESA Summer Undergraduate Research Academy intern.
校友
Ph.D. Alumnus
Md. Shahrier Hasan
Graduated 2024
計畫： Multiscale modeling and experimental investigations of mechanical deformation in nanocomposites
目前職位： Postdoctoral Scholar, University of California, Los Angeles (as of 2026)
Shahrier worked on multiscale modeling and experimental investigations of mechanical deformation in nanocomposites. His graduate work included first-author and co-author journal papers and conference proceedings, departmental and senate qualifying exam milestones, the LBNL/SHI Sustainable Research Pathways summer internship, and an SDSU UGF JDP scholarship.
M.S. Alumnus
Colin Delaney
Graduated 2025
計畫： In-situ SEM study of flash-sintering mechanisms of ionic ceramics
目前職位： Engineering role, General Atomics (as of 2026)
Colin studied in-situ SEM evidence for flash-sintering mechanisms in ionic ceramics. His graduate work included a co-authored TMS 2024 conference proceeding, a SoCal 2023 oral presentation at USC, and a TMS 2025 oral presentation on flash sintering.
M.S. Alumnus
Christopher Foronda
Graduated 2024
計畫： Thermal-elastic-processing for tailoring metal grain-boundary morphologies
目前職位： Quality Assurance Test Engineer II, NRS (as of 2026)
Christopher studied thermal-elastic-processing for tailoring metal grain-boundary morphologies and co-authored a refereed TMS 2024 conference proceeding.
M.S. Alumnus
Junail Paule
Graduated 2024
計畫： Machine-learning-based potential development for Ni and Cr metals
目前職位： M.S. alumnus
Junail worked on machine-learning-based potential development for nickel and chromium metals.
M.S. Alumnus
Gregory Berkeley
Graduated 2024
計畫： Machine-learning-based multiscale modeling for metal-matrix nanocomposites
目前職位： M.S. alumnus
Gregory worked on machine-learning-based multiscale modeling development for metal-matrix nanocomposites. He was awarded the SDSU RSCA student research fund in Spring 2021.
M.S. Alumnus
Kyrel Polifrone
Graduated 2023
計畫： Flash-sintering mechanisms of ionic ceramics
目前職位： M.S. alumnus
Kyrel studied flash-sintering mechanisms of ionic ceramics using atomistic modeling and experimental evidence. He received SDSU student research assistantship support in 2022, a 2023 SHI SRP summer internship, and authored or co-authored journal papers and a refereed conference proceeding.
M.S. Alumnus
Gabriel Portillo Pauna
Graduated 2022
計畫： 3D polycrystalline microstructure development for FEA modeling
目前職位： Mechanical Design Engineer, General Atomics (as of 2026)
Gabriel further developed three-dimensional polycrystalline microstructures with specified grain-boundary components for finite-element analysis modeling.
M.S. Alumna
Michele Borba Pavao
Graduated 2022
計畫： Local grain-boundary engineering by thermal elastic processing
目前職位： M.S. alumna
Michele worked on local grain-boundary engineering by thermal elastic processing.
M.S. Alumna
Katie Whitmore
Graduated 2021
計畫： 3D polycrystalline microstructure development for mesoscale modeling
目前職位： Mechanical and Thermal Engineer, Qualcomm (as of 2026)
Katie developed three-dimensional polycrystalline microstructures with specified grain-boundary components for mesoscale modeling.
M.S. Alumnus
Cameron Aires
Graduated 2020
計畫： In-situ optical microscopy of metal deformation using an in-house micro-tensile tester
目前職位： Design Engineer (as of 2026)
Cameron worked on in-situ optical microscopy of metal deformation using an in-house-designed micro-tensile tester.
M.S. Alumna
Rachell Lee
Graduated 2019
計畫： Finite-element modeling of Joule heating in 2D bimodal microstructured metals
目前職位： Stress Analyst, General Atomics Aeronautical Systems (as of 2026)
Rachell modeled Joule heating in two-dimensional bimodal microstructured metals using finite-element analysis. She co-authored two peer-reviewed journal papers.
Undergraduate Alumnus
Diego Cea
2026
計畫： TEP experiments and characterization of Cu
Diego completed thermal-elastic-processing experiments and characterization of copper as a 2026 MESA Summer Undergraduate Research Academy intern.
Undergraduate Alumnus
Ethan Morrison
Graduated 2025
計畫： Metal 3D printing technology development via induction heating
目前職位： Project Engineer 1, Clark Pacific (as of 2026)
Ethan worked on metal 3D printing technology development via induction heating and attended TMS 2025.
Undergraduate Alumnus
Jadyn Yamashita
2025
計畫： Electro-nano-pulsing technology
目前職位： B.S./M.S. Mechanical Engineering student, San Diego State University (as of 2026)
Jadyn previously worked on electro-nano-pulsing technology as an undergraduate researcher.
Undergraduate Alumnus
Tyler De Silva
2024-2025
計畫： Selective induction sintering 3D-printing method development
目前職位： Mechanical Engineering graduate (as of 2026)
Tyler worked on selective induction sintering 3D-printing method development, including ME499 work in 2025.
Undergraduate Alumnus
Jakob Bravo-Calderon
2024-2025
計畫： ENP processing and sintering experiments
目前職位： Undergraduate alumnus
Jakob worked on electro-nano-pulsing processing and sintering experiments, including ME499 work in 2025.
Undergraduate Alumnus
Simhal Maharaj
2024-2025
計畫： In-situ SEM imaging of metal deformation
目前職位： Field Service Engineer, Solar Turbines (as of 2026)
Simhal worked on in-situ SEM imaging of metal deformation processes.
Undergraduate Alumnus
William Fischer
2024-2025
計畫： In-situ tensile tester development and SEM imaging of metal deformation
目前職位： Undergraduate alumnus
William worked on in-situ tensile-tester development and in-situ SEM imaging of metal deformation.
Undergraduate Alumna
Olivia Towers
2025
計畫： FEA modeling of bi-modal polycrystalline metal
目前職位： Incoming Scheduler I / EIT, Mortenson (as of 2026)
Olivia worked on finite-element modeling of bi-modal polycrystalline metal.
Undergraduate Alumnus
Jorge Romo
2025
計畫： Thermal-elastic-processing experiments
目前職位： Undergraduate alumnus
Jorge worked on thermal-elastic-processing experiments.
Undergraduate Alumnus
Wade Anderson
2024
計畫： Sample preparation for ENP processing of aluminum metal
目前職位： Fire Protection Engineer and Code Consultant / EIT (as of 2026)
Wade worked on sample preparation for electro-nano-pulsing processing of aluminum metal.
Undergraduate Alumnus
Gio Michale Conversano
2024
計畫： ENP processing and sintering
目前職位： M.S. Aerospace Engineering student, Cal Poly Pomona (as of 2026)
Gio worked on electro-nano-pulsing processing and sintering.
Undergraduate Alumnus
Allen Ortiz
2024
計畫： In-situ SEM tensile tester
目前職位： Aerospace Engineering student, University of Southern California (as of 2026)
Allen worked on the in-situ SEM tensile tester.
Undergraduate Alumnus
Brandon Dimmick
2022-2023
計畫： Thermal-elastic processing for localized grain-boundary engineering
目前職位： Mechanical Engineering Student / Prototyping Engineer (as of 2026)
Brandon worked on thermal-elastic processing for localized grain-boundary engineering.
Undergraduate Alumnus
Matthew Simon
2022-2023
計畫： Thermal-elastic processing for localized grain-boundary engineering
目前職位： Manufacturing Engineer, General Atomics Aeronautical Systems (as of 2026)
Matthew worked on thermal-elastic processing for localized grain-boundary engineering.
Undergraduate Alumna
Lana Ayyash
2022-2023
計畫： Experimental measurement of grain-boundary electrical resistance
目前職位： Prototyping Engineer Intern, General Atomics Aeronautical Systems (as of 2026)
Lana worked on experimental measurement of grain-boundary electrical resistance in polycrystalline metals, including ME499 work measuring grain-boundary electrical resistivity of aluminum.
Undergraduate Alumnus
Ethan Anderson
2022-2023
計畫： Experimental measurement of grain-boundary electrical resistance
目前職位： R&D Product Design Engineer, Callaway Golf (as of 2026)
Ethan worked on experimental measurement of grain-boundary electrical resistance in polycrystalline metals.
Undergraduate Alumnus
Edgar Diaz
2021-2023
計畫： Electro-nano-pulser system assembly and testing
目前職位： SDSU IAC Center lead student, San Diego State University Industrial Assessment Center (as of 2026)
Edgar worked on assembly and testing of the electro-nano-pulser system for localized grain-boundary engineering.
Undergraduate Alumna
Sabrina Abdelhamed
2023
計畫： In-situ SEM of flash sintering of 8YSZ
目前職位： Systems Engineer, Northrop Grumman (as of 2026)
Sabrina worked on in-situ SEM study of flash sintering of 8 mol% yttria-stabilized zirconia.
Undergraduate Alumna
Madison Darnauer
2023
計畫： ReaxFF modeling of flash sintering of a 3-particle ZrO2 model
目前職位： Aerospace Engineer, NAVAIR (as of 2026)
Madison worked on ReaxFF modeling of flash sintering in a three-particle zirconia model.
Undergraduate Alumnus
Juan Roman
2023
計畫： Finite-element exploration of a metal 3D-printing technology
目前職位： Mechanical/Aerospace Engineering student; CNC/CMM Machinist student (as of 2026)
Juan worked on finite-element exploration of a metal 3D-printing technology.
Undergraduate Alumna
Katie Hardwicke
2023
計畫： Finite-element exploration of a metal 3D-printing technology
目前職位： Process Improvement Engineer, General Atomics Aeronautical Systems (as of 2026)
Katie worked on finite-element exploration of a metal 3D-printing technology.
Undergraduate Alumna
Madison Rogers
2023
計畫： Measuring grain-boundary electrical resistivity of aluminum metal
目前職位： Systems Engineer, Raytheon (as of 2026)
Madison worked on measuring grain-boundary electrical resistivity of aluminum metal.
Undergraduate Alumnus
Pablo Hinojosa Amaya
2023
計畫： Finite-element modeling for a bimodal grain-boundary serration model
目前職位： Bioengineering student, San Diego State University (as of 2026)
Pablo worked on finite-element modeling for a bimodal grain-boundary serration model.
Undergraduate Alumnus
Billal Jamshady
2023
計畫： Bimodal grain-boundary serration model creation
目前職位： Sales / mentorship role, Glorifying Christ (as of 2026)
Billal created a bimodal grain-boundary serration model.
大學生研究員
James Murray
2019-2021
計畫： Ceramic 3D-printing technique using computer-aided modeling
目前職位： Undergraduate alumnus
James worked on a novel ceramic 3D-printing technique using computer-aided modeling and virtual research workflows. He received SDSU Undergraduate Summer Research Program, SDSU RSCA student research fund, and LBNL/SHI Sustainable Research Pathways internship support.
Undergraduate Alumnus
Derek Uribe
2021
計畫： FEA modeling of metal-matrix nanocomposites
目前職位： Computer Science Graduate (as of 2026)
Derek worked on finite-element modeling of metal-matrix nanocomposites and received SDSU RSCA student research fund support in Spring 2021.
Undergraduate Alumnus
Xavier Lovato
2019-2020
計畫： Rotating magnetic-field generator integrated with Spero microscope
目前職位： Manufacturing Engineer, General Atomics Aeronautical Systems (as of 2026)
Xavier worked on a rotating magnetic-field generator integrated with a Spero microscope and received SDSU student research assistantship support in Fall 2019.
Undergraduate Alumna
Sanam Nagvekar
2019-2020
計畫： In-situ imaging apparatus for flash-sintering ceramics
目前職位： Mechanical Engineer, Intuitive Surgical (as of 2026)
Sanam worked on an in-situ imaging apparatus for studying flash-sintering processes of ceramics and received SDSU student research assistantship support in Spring 2020.
Undergraduate Alumnus
Amaury Reed
2019-2020
計畫： In-situ imaging apparatus for flash-sintering ceramics
目前職位： GNC Engineer, Lockheed Martin (as of 2026)
Amaury worked on an in-situ imaging apparatus for studying flash-sintering processes of ceramics and received SDSU student research assistantship support in Spring 2020.
Undergraduate Alumnus
Garrett Lee
2019-2020
計畫： Molecular dynamics of flash sintering of YSZ
目前職位： Undergraduate alumnus
Garrett worked on molecular dynamics of flash sintering of yttria-stabilized zirconia.
Undergraduate Alumnus
Austin Arnold
2019-2020
計畫： Molecular dynamics of flash sintering of YSZ
目前職位： Mathematics Teacher, Health Sciences High School and Middle School (as of 2026)
Austin worked on molecular dynamics of flash sintering of yttria-stabilized zirconia.
Undergraduate Alumnus
Jason Agtina
2020
計畫： Tensile testing of aluminum metal using a micro-tensile tester
目前職位： Engineering role, General Atomics (as of 2026)
Jason worked on tensile testing of aluminum metal using a micro-tensile tester.
Undergraduate Alumnus
Nathan Fosgett
2020
計畫： Sample preparation of aluminum metal for tensile testing
目前職位： Undergraduate alumnus
Nathan worked on sample preparation of aluminum metal for tensile testing.
Undergraduate Alumna
Roselynn Conrady
2020
計畫： Virtual-reality development of automatic switching functions
目前職位： Systems Engineer, Northrop Grumman (as of 2026)
Roselynn worked on virtual-reality development of automatic switching functions.
Undergraduate Alumna
Julia Gurfinkel
2020
計畫： Sample design and prototyping for aluminum micro-tensile testing
目前職位： Test Engineer, General Atomics Aeronautical Systems (as of 2026)
Julia worked on sample design and prototyping of aluminum metal for micro-tensile testing.
Undergraduate Alumna
Claire Elizabeth
2020
計畫： Synthetic blood-clot fabrication
目前職位： Undergraduate alumna
Claire worked on synthetic blood-clot fabrication.
Undergraduate Alumna
Theresa Escolano
2020
計畫： Rotating magnetic-field device development
目前職位： Undergraduate alumna
Theresa worked on rotating magnetic-field device development.
Undergraduate Alumnus
Ken Ramirez
2017-2019
計畫： MD simulations of fatigue deformation in bimodal microstructure metals
目前職位： Engineering role, Solar Turbines (as of 2026)
Ken worked on molecular dynamics simulations of fatigue deformation in bimodal microstructure metals. He was second author on one peer-reviewed journal paper and received SDSU Undergraduate Summer Research Program support in 2018.
Undergraduate Alumna
Sarah Gomez
2017-2019
計畫： Molecular dynamics simulations of nanocrystalline metals
目前職位： NASA civil servant, Launch Services Program, Vandenberg Space Force Base (as of 2026)
Sarah worked on molecular dynamics simulations of nanocrystalline metals and co-authored Prof. Xu's 2019 bimodal microstructure journal paper.
Undergraduate Alumnus
Cole Waterhouse
2019
計畫： Versatile mechanical testing device development assisted by CAD and modeling
目前職位： Test Engineer, L3Harris Technologies (as of 2026)
Cole received SDSU SURP support to develop a versatile mechanical testing device for research applications assisted by CAD and modeling.
最新消息
實驗室消息。
Appointment
Dr. Wenwu Xu Appointed CSRC-Affiliated Faculty for SDSU–UC Irvine Joint Doctoral Program
2026年9月2日
Dr. Wenwu Xu has been appointed as an affiliated faculty member of San Diego State University’s Computational Science Research Center (CSRC). Through this appointment, Dr. Xu will advise and support students in the SDSU–UC Irvine Joint Doctoral Program in Computational Science. The affiliation strengthens connections between the M3 Lab’s materials research and computational-science training, creating new opportunities for doctoral student mentorship and interdisciplinary collaboration.
Student Research
Diego Cea and Isaiah Clemons Present Thermal-Elastic Processing Summer Research
2026年7月31日
Congratulations to Diego Cea and Isaiah Clemons for successfully completing their summer internship research program and presenting their Thermal-Elastic Processing research with the M3 Lab. Their project examined grain-boundary modifications in pure copper via thermal-elastic processing, connecting sample preparation, coupled thermal-mechanical testing, and microstructure characterization through the SDSU MESA Summer Undergraduate Research Academy.
獎助
M3 Lab Leads $80,000 Multi-Campus CSU GUIDE AI-JUDGE Award
2026年7月20日
Dr. Wenwu Xu will lead an $80,000 CSU GUIDE collaboration with co-principal investigators Dr. Luwen (Vivian) Huangfu at San Diego State University and Dr. Ashley Ringer McDonald at Cal Poly San Luis Obispo. The AI-JUDGE project will help undergraduate students learn to identify and correct scientifically inaccurate AI-generated simulation code while supporting six paid undergraduate researchers across the two campuses.
閱讀更多
Student Research
Diego Cea and Isaiah Clemons Join M3 Lab Through SDSU MESA Summer Undergraduate Research Academy
2026年7月2日
Diego Cea and Isaiah Clemons, Mechanical Engineering juniors, joined the Multiscale Modeling of Materials Lab through the SDSU MESA Summer Undergraduate Research Academy 2026. During this eight-week, faculty-led research experience, they are working on Thermal-Elastic Processing experiments and characterization, including sample preparation and coupled thermal-mechanical testing, with support from SDSU MESA and MESA California.
News Archive
Documentation records by year.
2025
Dr. Wenwu Xu Receives JSPS Invitational Fellowship for Research in Japan
2025年3月31日
Dr. Wenwu Xu received the FY2024 Japan Society for the Promotion of Science (JSPS) Invitational Fellowship for Research in Japan. The fellowship supported a 32-day research collaboration in Spring 2025 with host Professor Dr. Motomichi Koyama at Tohoku University, advancing international research exchange in materials science and modeling.
閱讀更多機會
學術徵稿與專業機會。
目前與過往的會議專題、期刊專輯、特刊、論文徵稿、摘要徵集與專業服務機會。
目前沒有列出進行中的徵稿。
若有過往專業服務紀錄，仍會顯示於下方。
會議專題 / 摘要徵集截止日期已過
已封存
TMS 2027 會議專題：人工智慧在 ICME 中的應用
TMS 2027 AI-ICME 會議專題徵求摘要，主題聚焦 AI 輔助 ICME 方法與工作流程。
Wenwu Xu 博士將共同組織 TMS 2027 Annual Meeting & Exhibition 的「Artificial Intelligence Applications in Integrated Computational Materials Engineering (AI-ICME)」會議專題，會議將於 2027 年 3 月 14-18 日在佛羅里達州奧蘭多舉行。此專題聚焦 AI/ML、物理知情建模 (physics-informed modeling)、代理模型 (surrogate models)、基礎模型 (foundation models)、不確定性量化，以及 ICME 中製程-結構-性質-性能連結的數位工作流程。
角色： 會議專題組織者
組織者
- Wenwu XuSan Diego State University
- Qiaofu ZhangUniversity of Alabama
- Brandon BocklundLawrence Livermore National Laboratory
- Ram DevanathanPacific Northwest National Laboratory
- Arezoo EmdadiMissouri University of Science and Technology
- Victoria M. MillerUniversity of Florida
- Pinar AcarVirginia Tech
- Avanish MishraLos Alamos National Laboratory
- Ghanshyam PilaniaGE Aerospace Research
會議專題 / 摘要徵集截止日期已過
已封存
TMS 2027 Symposium: Chemistry and Physics of Interfaces
Abstracts are invited for a TMS 2027 symposium on interface phenomena across materials classes.
Dr. Wenwu Xu will co-organize the symposium "Chemistry and Physics of Interfaces" at the TMS 2027 Annual Meeting & Exhibition, March 14-18, 2027, in Orlando, Florida. The symposium brings together experimental and computational researchers studying interface phenomena, including grain boundaries, crystalline interphase boundaries, solid-liquid interfaces, and free surfaces, with emphasis on thermodynamics, non-equilibrium behavior, characterization, modeling, and mechanism-informed materials design.
角色： 會議專題組織者
組織者
- Nutth TuchindaNew Jersey Institute of Technology
- Rebecca A. GallivanDartmouth College
- Wenwu XuSan Diego State University
- Ryan SillsRutgers University
- Daniel MooreSandia National Laboratory
- Sergii V. DivinskyiUniversity of Muenster
- Kaka MaTexas A&M University
會議專題 / 摘要徵集截止日期已過
已封存
TMS 2027 會議專題：場輔助材料製程與凝固
TMS 2027 會議專題徵求摘要，主題為外場控制製程與凝固。
Wenwu Xu 博士將共同組織 TMS 2027 Annual Meeting & Exhibition 的「Field-Assisted Material Processing and Solidification」會議專題，會議將於 2027 年 3 月 14-18 日在佛羅里達州奧蘭多舉行。此專題聚焦使用外場，包括電場、磁場、超音波場、電磁場、光子、電漿、電化學、機械與重力場，來控制傳輸、相變、介面化學、製程與凝固。
角色： 會議專題組織者
組織者
- Wenwu XuSan Diego State University
- Fiseha TesfayeAbo Akademi University
- Chukwunwike IloejeArgonne National Laboratory
- Adrian SabauOak Ridge National Laboratory
- Lichao FangWorcester Polytechnic Institute
- Wei HuangTMS Process Technology and Modeling Committee
- Yang YangSan Diego State University
- Arezoo EmdadiMissouri University of Science and Technology
- Andrew KaoUniversity of Greenwich
- Catherine TonryUniversity of Greenwich
- Dmitry EskinBrunel University London
- Abdellah KharichaMontanuniversitaet Leoben
- Natalia ShevchenkoHelmholtz-Zentrum Dresden-Rossendorf
- Jiawei MiUniversity of Hull
會議專題 / 摘要徵集截止日期已過
已封存
TMS 2027 Symposium: Powder Materials Processing and Fundamental Understanding
Abstracts are invited for a TMS 2027 symposium on the fundamental science of powder materials processing.
Dr. Wenwu Xu will co-organize the symposium "Powder Materials Processing and Fundamental Understanding" at the TMS 2027 Annual Meeting & Exhibition, March 14-18, 2027, in Orlando, Florida. The symposium focuses on the fundamental science of powder materials synthesis, processing, characterization, and processing-structure-property relationships, with contributions encouraged across metallic, ceramic, and hybrid powder systems and across experimental, computational, and data-science approaches.
角色： 會議專題組織者
組織者
- Elisa TorresaniSan Diego State University
- Kathy LuUniversity of Alabama Birmingham
- Eugene A. OlevskySan Diego State University
- Diletta GiuntiniEindhoven University of Technology
- Paul D. PrichardOak Ridge National Laboratory
- Wenwu XuSan Diego State University
- Bowen LiMichigan Technological University
- Charles ManiereCRISMAT Laboratory
- Thomas GrippiUniversite Toulouse 3 - CIRIMAT
- Ma QianRMIT University
- Rajendra K. BordiaClemson University
期刊專題集 / 論文徵稿截止日期已過
已封存
IMMI 專題集：人工智慧在整合式計算材料工程 (ICME) 中的應用
IMMI 專題集徵求有關 AI 在 ICME 中應用的投稿。
Integrating Materials and Manufacturing Innovation 專題集「Artificial Intelligence Applications in Integrated Computational Materials Engineering (AI-ICME)」徵求投稿。歡迎 AI/ML 輔助材料建模、材料資訊學、製程-結構-性質關係、多尺度建模、不確定性量化、數位分身 (digital twins) 與 AI 輔助 ICME 工作流程等主題。
角色： 專題集組織者或編輯
編輯
- Wenwu XuSan Diego State University
- Vikas TomarPurdue University
- Avanish MishraLos Alamos National Laboratory
加入我們
加入 M3 Lab。
本實驗室歡迎與 M3 Lab 研究方向明確相關的研究生、大學生、訪問學者與合作夥伴洽詢。
研究生研究員
適合對晶界工程 (grain-boundary engineering)、場輔助製程、計算材料科學、以顯微證據輔助的建模、材料表徵、儀器開發或資料驅動材料流程感興趣的研究生。申請博士班的學生可透過 SDSU 聯合博士學位計畫申請。
- 材料科學或機械工程背景
- 程式、模擬或實驗經驗
- 清楚的計畫責任感與定期進度溝通
大學生研究員
透過樣品製備、SEM 流程、程式撰寫、視覺化與文獻導向研究問題，建立實作研究經驗。
- 可靠度
- 願意記錄研究工作
- 對材料或計算有興趣
訪問學者與合作夥伴
本實驗室歡迎在製程、微結構表徵、計算建模與教育科技方面的合作。
- 共同研究問題
- 明確合作範圍
- 與實驗室方法或設備契合
教學
材料課程與學生訓練。
- ME240: Introduction to Engineering Materials
- ME241: Materials Lab
- ME304: Mechanics of Materials
- ME542: Materials Structure
- ME640: Nanomaterials
- ME642: Materials Modeling
Introduction to AI-Molecular Dynamics
A seven-lesson module developed through the MolSSI ACT-CMS program, introducing molecular dynamics, atomistic model construction, LAMMPS, Atomsk, OVITO visualization, and responsible AI/LLM-assisted MD workflows for materials modeling students.
Open ACT-CMS Module教學創新
CrystalCraft：VR/AR 材料學習。
CrystalCraft 是一套開源虛擬實境應用，用於建立原子模型並在分子層級學習晶體結構。此計畫將材料視覺化轉化為沉浸且具創造性的學習環境，由 SDSU 跨領域師生合作開發。
- 在虛擬實境中建立原子模型
- 在分子層級探索晶體結構
- 以 FCC 與 HCP 範例支援材料教學
- 結合材料科學、遊戲設計與開源開發
計畫網站
GitHub 儲存庫CrystalCraft VR 環境中的早期使用者視角影片。
SDSU 跨領域專案團隊
CrystalCraft 由軟體工程、遊戲設計、機械工程、材料科學、3D 建模與教師指導等領域合作完成。
Carter AndrewsSoftware engineer, web developer, and game designer
Roselynn ConradyMechanical engineer, content designer, and materials scientist
Patrick PerrineSoftware engineer, game designer, and film maker
Kain KunProgrammer, graphic artist, and 3D modeler
Wenwu XuSDSU faculty advisor and materials simulation specialist
合作網絡
合作夥伴與專業網絡：過去與現在。
這些卡片包含大學、國家實驗室與產業界的合作夥伴、共同作者、共同編輯、導師與提案合作對象，研究範圍涵蓋計算材料科學、原子尺度模擬、晶界工程、場輔助材料製程、AI/ML 材料研究、材料資訊學與工程教育。
Global collaboration map
Interactive OpenStreetMap view of institutional locations for current and past collaborators, co-authors, advisors, and professional network colleagues. Zoom, pan, and select markers for names.
75people56locations9countries
Map data and tiles by OpenStreetMap contributors. Use the plus and minus controls to zoom; drag to pan. Report a map issue
Aachen, GermanyDierk Raabe
Albuquerque, NM, USAJames M. Goff
Alliance, OH, USAChristine Morales
Amherst, NY, USADom Sirianni
Austin, TX, USAJosh Beckham
Badajoz, SpainJuan J. Melendez
Baltimore, MD, USAJoseph Bennett, Marie van Staveren
Baton Rouge, LA, USAHeidi Klem
Beijing, ChinaXiaoyan Song
Berkeley, CA, USAMark Asta, Wibe Albert "Bert" de Jong
Blacksburg, VA, USAPinar Acar
Castel Gandolfo, ItalyKevin Greenman
Cedar Rapids, IA, USASteve Singleton
Chapel Hill, NC, USAMarc ter Horst
College Station, TX, USAKaka Ma
Dalian, ChinaEnyu Guo
Easton, PA, USAHeidi Hendrickson
Gainesville, FL, USAVictoria Miller
Hamilton, CanadaNana Ofori-Opoku
Huntingdon, PA, USAWilliam Ames
Irving, TX, USAPrajay Patel
Jena, GermanyMarkus Rettenmayr, Stephanie Lippmann
Kalamazoo, MI, USACecilia Vollbrecht
Lemont, IL, USAMurat Keceli
Livermore, CA, USABrandon Bocklund
London, United KingdomAndrew Horsfield, Chu Lun Alex Leung, Peter D. Lee
Los Alamos, NM, USAAvanish Mishra
Meadville, PA, USASamuel Shepard
Merced, CA, USALilian Davila, Valerie Leppert
Niskayuna, NY, USAGhanshyam Pilania, Mukil Ayyasamy
Norman, OK, USAKun Lu
Oak Ridge, TN, USAAdrian Sabau
Old Westbury, NY, USAYoungjoo Kim
Oxford, United KingdomIakovos Tzanakis
Pittsburgh, PA, USARachel Kurchin
Prairie View, TX, USALori Banks
Qazvin, IranMassoud Malaki
Redwood City, CA, USAJames Saal
Richland, WA, USARam Devanathan
Rochester, NY, USAMegan Tichy
Rolla, MO, USAArezoo Emdadi
Saint Peter, MN, USABrandy Russell
San Diego, CA, USAElisa Torresani, Eugene Olevsky, Jian Luo, Jing Gu, Khaled Morsi, Luwen (Vivian) Huangfu, Santosh KC, Sara Adibi, Shengqiang Cai, Wenwu Xu, Yang Yang
San Marcos, TX, USAKelly Lancaster
Santa Clara, CA, USARobin Grotjahn
Schmalkalden, GermanyMartin Seyring
Sendai, JapanMotomichi Koyama
Spokane, WA, USAGergely Gidofalvi
St. Louis, MO, USACraig Smith
Troy, NY, USAFabian Faulstich, Keith Fraser
Tuscaloosa, AL, USAQiaofu Zhang
Tyler, TX, USANing Wang
University Park, PA, USALinlin Jensen, Nik Tsotakos
Uxbridge, United KingdomDmitry G. Eskin
Washington, DC, USADavid Ramirez
West Lafayette, IN, USAVikas Tomar
顯示 75 共 75 collaborators
Adrian Sabau
Senior Research Staff Member
Oak Ridge National Laboratory
Andrew Horsfield
Retired Professor
Imperial College London
Arezoo Emdadi
Assistant Professor
Missouri University of Science and Technology, Department of Materials Science and Engineering
Avanish Mishra
Staff Scientist
Los Alamos National Laboratory, Theoretical Division
Brandon Bocklund
Postdoctoral Researcher
Lawrence Livermore National Laboratory, Materials Science Division
Brandy Russell
MolSSI ACT-CMS Faculty Fellow, 2024-2026 cohort
Gustavus Adolphus College
Network note: Project: Data analysis and visualization using Python in general chemistry.
Cecilia Vollbrecht
MolSSI ACT-CMS Faculty Fellow, 2025-2027 cohort
Kalamazoo College
Network note: Project: Visualization of quantum mechanical models and spectroscopy applications using Python.
Christine Morales
MolSSI ACT-CMS Faculty Fellow, 2024-2026 cohort
University of Mount Union
Network note: Project: Python-based Jupyter notebooks in the analytical chemistry laboratory.
Chu Lun Alex Leung
Associate Professor in Imaging of Advanced Materials and Manufacturing
University College London, Department of Mechanical Engineering; Research Complex at Harwell
Craig Smith
MolSSI ACT-CMS Faculty Fellow, 2025-2027 cohort
Washington University in St. Louis
Network note: Project: Interactive Protein Structure Analysis Using Jupyter Notebooks.
David Ramirez
MolSSI ACT-CMS Faculty Fellow, 2026-2027 cohort
The Catholic University of America
Network note: Project: Exploration of Molecular Symmetry and Bonding using Python and Jupyter Notebooks.
Dierk Raabe
Director and Scientific Member
Max Planck Institute for Sustainable Materials; RWTH Aachen University
Dmitry G. Eskin
Professor
Brunel University London; Brunel Centre for Advanced Solidification Technology (BCAST)
Dom Sirianni
MolSSI ACT-CMS Faculty Fellow, 2024-2026 cohort
Daemen University
Network note: Project: Symbolic calculus in biophysical chemistry.
Elisa Torresani
Assistant Professor
San Diego State University, Department of Mechanical Engineering
Enyu Guo
Professor
Dalian University of Technology, School of Materials Science and Engineering
Eugene Olevsky
Dean of the College of Engineering; Distinguished Professor; Director, Powder Technology Laboratory
San Diego State University
Fabian Faulstich
MolSSI ACT-CMS Faculty Fellow, 2026-2027 cohort
Rensselaer Polytechnic Institute
Network note: Project: Transforming Quantum Many-Body Education via Modular Open-Source Software.
Gergely Gidofalvi
MolSSI ACT-CMS Faculty Fellow, 2024-2026 cohort
Gonzaga University
Network note: Project: Rovibrational spectrum of H-35Cl: comparison between theory and experiment.
Ghanshyam Pilania
Senior Scientist
General Electric; Los Alamos National Laboratory
Heidi Hendrickson
MolSSI ACT-CMS Faculty Fellow, 2025-2027 cohort
Lafayette College
Network note: Project: Quantum information science modules in physical chemistry.
Heidi Klem
MolSSI ACT-CMS Faculty Fellow, 2026-2027 cohort
Louisiana State University
Network note: Project: A Digital Dive into the Four Levels of Protein Structure.
Iakovos Tzanakis
Professor in Engineering Materials
Oxford Brookes University
James M. Goff
Researcher
Sandia National Laboratories
James Saal
Senior Director of External Research Programs
Citrine Informatics; Johns Hopkins Engineering for Professionals
Jian Luo
Professor
University of California San Diego, Department of NanoEngineering; Materials Science and Engineering Program
Jing Gu
Professor
San Diego State University, Department of Chemistry and Biochemistry
Joseph Bennett
MolSSI ACT-CMS Faculty Fellow, 2026-2027 cohort
University of Maryland Baltimore County
Network note: Project: Calculating Crystallographic Trends in Inorganic Chemistry.
Josh Beckham
MolSSI ACT-CMS Faculty Fellow, 2026-2027 cohort
The University of Texas at Austin
Network note: Project: Advancing Molecular Docking Skills for First-Year Undergraduates in CUREs through Infectious Disease Drug Discovery.
Juan J. Melendez
Full Professor
University of Extremadura, Department of Physics
Kaka Ma
Associate Professor
Texas A&M University, Department of Materials Science and Engineering
Keith Fraser
MolSSI ACT-CMS Faculty Fellow, 2025-2027 cohort
Rensselaer Polytechnic Institute
Network note: Project: Structural Bioinformatics.
Kelly Lancaster
MolSSI ACT-CMS Faculty Fellow, 2026-2027 cohort
Texas State University
Network note: Project: Dye-ing for Quantum: Modeling Conjugated Molecules.
Kevin Greenman
MolSSI ACT-CMS Faculty Fellow, 2024-2026 cohort
Catholic Institute of Technology
Network note: Project: Jupyter module on molecular representation for introductory chemistry.
Khaled Morsi
Professor
San Diego State University, Department of Mechanical Engineering
Kun Lu
Associate Professor
University of Oklahoma, School of Library and Information Studies
Lilian Davila
Assistant Professional Researcher
University of California Merced, Chemical and Materials Engineering
Linlin Jensen
MolSSI ACT-CMS Faculty Fellow, 2025-2027 cohort
The Pennsylvania State University
Network note: Project: Data Analysis and Visualization with AI-enhanced Programming in General Chemistry.
Lori Banks
MolSSI ACT-CMS Faculty Fellow, 2024-2026 cohort
Prairie View A&M University
Network note: Project: Coding for Biological Research Training.
Luwen (Vivian) Huangfu
Assistant Professor
San Diego State University, Fowler College of Business, Management Information Systems Department
Marc ter Horst
MolSSI ACT-CMS Faculty Fellow, 2024-2026 cohort
University of North Carolina at Chapel Hill
Network note: Project: Graduate-level organic chemistry.
Marie van Staveren
MolSSI ACT-CMS Faculty Fellow, 2024-2026 cohort
University of Maryland, Baltimore County
Network note: Project: Data Analysis Quick Pages for Experimental Physical Chemistry.
Mark Asta
Professor of Materials Science and Engineering
University of California Berkeley; Lawrence Berkeley National Laboratory
Markus Rettenmayr
Professor of Metallic Materials
Friedrich-Schiller-Universität Jena, Otto Schott Institute of Materials Research
Martin Seyring
Research Scientist for Electron and Optical Microscopy
Schmalkalden University of Applied Sciences, Faculty of Electrical Engineering
Massoud Malaki
Assistant Professor
Imam Khomeini International University
Megan Tichy
MolSSI ACT-CMS Faculty Fellow, 2026-2027 cohort
University of Rochester
Network note: Project: POGIL + Python for Teaching Spectroscopy, Thermodynamics and Kinetics.
Motomichi Koyama
Associate Professor
Tohoku University, Institute for Materials Research
Network note: Host professor for Wenwu Xu's FY2024 JSPS Invitational Fellowship for Research in Japan.
Mukil Ayyasamy
Research Engineer
GE Aerospace Research Center, Probabilistic Design and Materials Informatics Group
Murat Keceli
Assistant Computational Scientist
Argonne National Laboratory
Nana Ofori-Opoku
Assistant Professor
McMaster University, Department of Materials Science and Engineering
Nik Tsotakos
MolSSI ACT-CMS Faculty Fellow, 2025-2027 cohort
The Pennsylvania State University
Network note: Project: Modeling mutation effects population-wide using Python.
Ning Wang
MolSSI ACT-CMS Faculty Fellow, 2026-2027 cohort
The University of Texas at Tyler
Network note: Project: Machine-learning-ready chemical engineering cyberinfrastructure pipeline.
Peter D. Lee
Professor of Materials Science
University College London, Department of Mechanical Engineering
Pinar Acar
Assistant Professor
Virginia Tech, Department of Mechanical Engineering
Prajay Patel
MolSSI ACT-CMS Faculty Fellow, 2025-2027 cohort
University of Dallas
Network note: Project: Transitioning from Excel to Python for inquiry-based data analysis in physical chemistry labs.
Qiaofu Zhang
Assistant Professor
University of Alabama, Department of Metallurgical and Materials Engineering
Rachel Kurchin
MolSSI ACT-CMS Faculty Fellow, 2024-2026 cohort
Carnegie Mellon University
Network note: Project: Diffusion lab for introductory materials science.
Ram Devanathan
Director, Energy Processes and Materials Division
Pacific Northwest National Laboratory
Robin Grotjahn
MolSSI ACT-CMS Faculty Fellow, 2025-2027 cohort
Santa Clara University
Network note: Project: High Performance Computing Applications in a General Chemistry Laboratory.
Samuel Shepard
MolSSI ACT-CMS Faculty Fellow, 2026-2027 cohort
Allegheny College
Network note: Project: Modeling and printing of 3D surfaces for real gas visualization.
Santosh KC
Assistant Professor
San Diego State University, Department of Mechanical Engineering
Sara Adibi
Assistant Professor
San Diego State University, Department of Mechanical Engineering
Shengqiang Cai
Professor
University of California San Diego, Mechanical and Aerospace Engineering; Materials Science and Engineering
Stephanie Lippmann
Assistant Professor
Friedrich-Schiller-Universität Jena, Institute of Applied Physics, Germany
Steve Singleton
MolSSI ACT-CMS Faculty Fellow, 2024-2026 cohort
Coe College
Network note: Project: Guided-inquiry computing in the physical chemistry curriculum.
Valerie Leppert
Professor Emeritus
University of California Merced, Chemical and Materials Engineering
Victoria Miller
Associate Professor
University of Florida, Department of Materials Science and Engineering
Vikas Tomar
Professor
Purdue University, School of Aeronautics and Astronautics
Wenwu Xu
MolSSI ACT-CMS Faculty Fellow, 2025-2027 cohort
San Diego State University
Network note: Project: Transforming Materials Modeling Education through LLM-Assisted Coding and HPC Integration for SDSU's Doctoral Engineering Program.
Wibe Albert "Bert" de Jong
Senior Scientist
Lawrence Berkeley National Laboratory, Computational Research Division
William Ames
MolSSI ACT-CMS Faculty Fellow, 2025-2027 cohort
Juniata College
Network note: Project: Modeling reaction kinetics in Python with QM-calculated transition-state energies.
Xiaoyan Song
Distinguished Professor
Beijing University of Technology, College of Materials Science and Engineering
Yang Yang
Assistant Professor
San Diego State University, Department of Mechanical Engineering
Youngjoo Kim
MolSSI ACT-CMS Faculty Fellow, 2026-2027 cohort
SUNY Old Westbury
Network note: Project: Analysis of Omics data using Python/Colab in Biochemistry class.
資源
實驗與計算資源。
支援 M3 Lab 實驗、模擬、資料分析與計算材料研究的共享基礎設施。
實驗資源
客製化與實驗室自行開發的平台，支援 Xu 團隊研究場輔助製程、原位顯微觀察 (in-situ microscopy)、熱機耦合與快速高溫測試。
電奈米脈衝 (ENP) Advance 4X 平台
用於晶界工程的奈秒脈衝電流製程。
Xu 團隊開發客製化電奈米脈衝平台，用於金屬材料的晶界工程。ENP Advance 4X 系統對小型金屬試片施加可程式化奈秒級電流脈衝，以探測晶界附近的局部電效應、熱效應與電子風效應 (electron-wind effects)。
- 超高強度奈秒脈衝電流製程
- 氧化鋁陶瓷 PCB 上的四對銅饋電板架構
- 可拆式中央腔體，支援惰性氬氣或液態氮操作
- 為小型金屬帶狀試片設計
- 支援區分焦耳加熱與電子風效應的研究
客製化 SEM 原位熱機測試裝置
實驗室自製夾具，用於熱應變過程中的 SEM 直接觀察。
本團隊開發了客製化、相容 SEM 的機械測試裝置，用於原位熱應變研究。此夾具搭配 SEM 加熱台，可在熱-機耦合載入下直接觀察變形與微結構演化。
- 實驗室自製 SEM 相容機械夾具
- 相容原位 SEM 成像流程
- 可搭配加熱台進行熱應變實驗
- 支援觀察應變局部化、裂紋與介面演化
- 可適應客製化試片幾何與載入組態
SEM 高溫加熱台 / 爐體能力
高溫 SEM 觀察與熱製程研究。
本團隊使用高溫 SEM 載台能力，觀察熱暴露與熱-機耦合載入期間的微結構演化。這些資源支援以 SEM 為基礎的陶瓷與金屬材料高溫及閃速燒結研究。
- 受控加熱期間的 SEM 觀察
- 可整合客製化機械載入硬體
- 支援熱暴露、熱應變與閃速燒結研究
- 追蹤形貌、裂紋與晶界行為
- Apreo 2 相容加熱台路徑，並考量偵測器相容性
客製化快速升溫管式爐 / 與機械測試整合的 ENP 相容快速加熱系統
機械載入下的快速高溫實驗。
Xu 團隊操作客製化快速升溫管式爐，用於熱彈性製程 (thermal-elastic processing) 與高溫機械測試。此系統整合 Instron 萬能材料試驗機，可對小型圓柱試片進行加熱與機械載入耦合實驗。
- 客製化小型快速升溫管式爐
- 設計為可直接固定於 Instron 萬能材料試驗機
- 四組碳化矽加熱元件，搭配 SCR 電力控制
- Watlow PM6+ PID 控制，搭配 Type N 熱電偶
- 亦可作為獨立桌上型爐體使用
計算資源
Xu 研究團隊使用聖地牙哥州立大學的高效能運算資源，支援計算材料科學、原子尺度模擬、分子動力學、資料分析與模擬驅動材料設計。
聯絡
聯絡 SDSU M3 Lab。
Emailwenwu.xu@sdsu.edu
地址機械工程學系，聖地牙哥州立大學，5500 Campanile Drive, San Diego, CA 92182 USA
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