Alumni
Brian Lee
Postdoctoral Research Assistant
Research Topics:
Coarse-grained modeling of energetic materials
Force field development via machine learning
Education:
Ph.D., Duke University, 2021
Chukwuma Ezenwata
Research Topics:
AI-enhanced physics-based modeling for materials @ extreme conditions
Education:
B.S. Production Engineering – University of Benin, Nigeria, 2019 M.S. Materials Engineering, Purdue University, 2024
Ava Hallberg
2023 – 2024 Machine Learning Intern
Research Topics:
Metropolis-Hastings Ising models
General Adversarial Networks
Education:
B.S. Engineering, Purdue University, 2027
Shukai Yao
Graduate Research Assistant
Research Topics:
Density functional theory calculations of shape memory alloys
Education:
B.S. Applied Physics, Shandong University, 2018
Andres Fernandez San Miguel
Ph.D. Candidate – University of A Coruña
Research Topics:
Molecular Mechanics of graphene sheets, carbon nanotubes and proteins
Education:
B.S. Civil Engineering, University of A Coruña
M.Sc. Civil and Structural Engineering, University of A Coruña
David E. Farache
Research Topics:
Shape memory alloys
Education
B.S. Materials Science and Engineering, Purdue University, 2022
M.S Materials Science and Engineering, Purdue University, 2023
George M. Nishibuchi
Research Topics:
Optical properties of ceramics for hypersonic IR windows via first principles calculations
Education:
M.S. Materials Science and Engineering, Purdue University, 2023
B.S. Materials Science and Engineering, Purdue University, 2022
Brenden W. Hamilton
Director’s Postdoctoral Fellow @ Los Alamos National Lab
Research Topics:
Thermo-mechanical Energy Localization in High-Energy Density Materials
Shock Compression of Solids
Heterogeneous Initiation of Explosives
Education:
Ph.D. Materials Engineering, Purdue University, 2022
B.S. Materials Engineering, Purdue University, 2018
B.S. Applied Physics, Purdue University, 2018
Zachary D. McClure
Computational Chemist @ NVIDIA
Research Topics:
Data driven design of high entropy alloys and oxide scales
Thermal transport in alloys
Education:
Ph.D. Materials Engineering, Purdue University, 2022
B.S. Chemical Engineering, Oregon State University, 2017
Peter Salek
Graduate Research Assistant (PhD) @ Purdue University
Research Topics:
Propulsion and Astrodynamics
Education:
M.S. Aerospace, Aeronautical, and Astronautical Engineering, Purdue University, 2022
B.S. Aerospace, Aeronautical, and Astronautical Engineering, Purdue University, 2020
Shivam Tripathi
Postdoctoral Research Associate @ Istituto Italiano di Tecnologia (Parrinello Group)
Research Topics:
Thermal Transport in nanoscale materials
Shape Memory Alloys
Education:
Ph.D. Materials Engineering, Purdue University, 2021
B.Tech MSE, Indian Institute of Technology Kanpur, 2016
Michael N. Sakano
Postdoctoral Appointee @ Sandia National Laboratories
Research Topics:
Kinetics Modeling of High-Energy Density reactive materials
Experimental validation and continuum scale verification
Education:
Ph.D. Materials Engineering, Purdue University, 2021
B.S. Biomedical and Health Sciences Engineering,
University of North Carolina at Chapel Hill, 2016
MAJ Timothy S. Wolfe
Assistant Professor of Electrical Engineering @ Air Force Institute of Technology
Research Topics:
Wide band gap semiconductor devices
Optoelectronics
Ab-initio solid-state simulations
Education:
Ph.D. Electrical Engineering, Purdue University, 2021
M.Sc. Electrical Engineering, Air Force Institute of Technology, Dayton, OH, 2015
B.S. Electrical Engineering, Boston University, Boston, MA, 2011
Pilsun Yoo
Postdoctoral Research Fellow @ Oak Ridge National Laboratory
Research Topics:
Catalysts
Solid-oxide electronic structure
Machine learning potential for atomistic simulation
Education:
Ph.D. Materials Engineering, Purdue University, 2021
M.S. Physics, Hankuk University of foreign languages, South Korea, 2016
B.S. Physics, Hankuk University of foreign languages, South Korea, 2014
Tongtong Shen
Data Analysis Engineer @ Apple
Research Topics:
Molecular Science Software
Atomic Scale Modeling
Polymer Crystals and Crystallization
Education:
Ph.D. Materials Engineering, Purdue University, 2021
B.S. Physics, Nanjing University of Information Science & Technology, 2015
Saaketh Desai
Postdoctoral Appointee @ Sandia National Laboratories
Research Topics:
Enhancing the predictive power of molecular dynamics simulations
Physics based machine learning for molecular dynamics
Education:
Ph.D. Materials Engineering, Purdue University, 2020
B. Tech, Metallurgical and Materials Engineering, Indian Institute of Technology (IIT) Roorkee, 2015
Lorena Alzate-Vargas
Postdoctoral Research Associate @ ORNL – Computational Sciences and Engineering Division
Dissertation: Structural and dynamical properties in organic systems using molecular dynamics simulations
Research Topics:
Atomistic simulations of polymers: uncertainty quantification of thermal properties
Conformational dynamics behavior in polymers
Education:
Ph.D. Materials Engineering, Purdue University, 2019
B.S. Engineering Physics, Universidad EAFIT – Colombia, 2014
Mahbubul Islam
Assistant Professor of Mechanical Engineering @ Wayne State University
Research Topics:
First-principles, ReaxFF, and eReaxFF molecular dynamics (MD) simulations on reactive and nonreactive systems for energetic materials, batteries and 2D materials
Education:
Postdoctoral Research Assistant, Purdue University, 2016-2019
Ph.D. in Mechanical Engineering, The Pennsylvania State University, 2016
B.S in Mechanical Engineering, Bangladesh University of Engineering and Technology, Bangladesh, 2009
Karthik Guda Vishnu
Computational Materials Scientist @ Micron Technology
Research Topics:
Active materials – Shape memory materials and ferroelectrics
Shock wave energy dissipating (SWED) materials
Atomic scale investigation of primary radiation damage
Inter-metallic reactive composites; Defects in Semiconductors
Education:
Postdoctoral Research Assistant, Purdue University, 2016-2020
Ph.D., Materials Science and Engineering, Purdue University, 2012
B.Tech., Metallurgical and Materials Engineering, National Institute of Technology, Trichy, India, 2007
Undergraduate – Alumni
Keshav Anirudh Nagubandi
Undergraduate Researcher
Research Topics:
Molecular dynamics
Understanding materials though vibrations and sounds
Education:
B.S. Materials Engineering, Purdue University, 2026
Anh-Luu Nguyen
Undergraduate Research Assistant
Research Topics:
Machine Learning and Data Collection with Energetic Materials
Education:
B.S. in Computer Science, Purdue University
Ryan Horn
Undergraduate Research Assistant
Research Topics:
X-ray Diffraction, Composite Propellant Characterization via Large Language Models
Education:
B.S. in Aeronautical and Astronautical Engineering (Junior), Purdue University
Michael H. Taylor
2022 Advancing Army Modernization Priorities- Undergraduate Program (AAMP-UP)
Research Topics:
Machine learning predictive modeling of high explosive properties
Education:
B.S. Mechanical Engineering, New Mexico Institute of Mining and Technology, 2023
Sohee Kim
2022 Advancing Army Modernization Priorities- Undergraduate Program (AAMP-UP)
Research Topics:
Data science and machine learning of energetic materials properties
Education:
B.S. Computer Engineering Technology, Purdue University, 2025
Samuel Blankenship
2022 Advancing Army Modernization Priorities- Undergraduate Program (AAMP-UP)
Research Topics:
Data science and machine learning of energetic materials properties
Education:
B.S. Materials Science and Engineering, Purdue University, 2025
Noah Hallberg
2022 Summer Undergraduate Research Fellowship (SURF)
Research Topics:
Identification of high-temperature oxidation-resistant alloys via simulation
Education:
B.S. Computer Science, Purdue University, 2025
Craig Ahsmann
Advancing Army Modernization Priorities- Undergraduate Program (AAMP-UP)
Research Topics:
Predicting properties of organic molecules
Pratyush Avi
Advancing Army Modernization Priorities- Undergraduate Program (AAMP-UP)
Research Topics:
Predicting properties of organic molecules
Alfonso D. Meraz
Micro Nano Technology Collaborative Undergraduate Research Network (MNT-CURN)
Research Topics:
Blockchain – Molecular dynamics proof of work
Shuchen Liu
Micro Nano Technology Collaborative Undergraduate Research Network (MNT-CURN)
Research Topics:
Blockchain – Molecular dynamics proof of work
O’Neal Douglin
Micro Nano Technology Collaborative Undergraduate Research Network (MNT-CURN)
Research Topics:
Blockchain – Molecular dynamics proof of work
Dave Emdin
Micro Nano Technology Collaborative Undergraduate Research Network (MNT-CURN)
Research Topics:
Blockchain – Molecular dynamics proof of work
Nacim Bouia
Visiting Scholar
Research Topics:
Design of interatomic potentials for phase change memory
Anna Leichty
Network for Computational Nanotechnology – Undergraduate Research Experience (NCN/URE)
Research Topics:
Development of educational content for first year engineering students
Mackinzie Farnell
MSE – Undergraduate Research
Research Topics:
Modeling environment dependent properties in Complex Concentrated Alloys (CCAs)
Lok C. Fan (Lucas)
Imperial College, London, Purdue University Exchange Program
Research Topics:
Automated approach to discover coherent second phases in multicomponent systems
Rileigh Cotter
Network for Computational Nanotechnology – Undergraduate Research Experience (NCN/URE)
Research Topics:
Random and special quasi random structures generator for Complex Concentrated Alloys (CCAs)
Sabir Utamsing
Network for Computational Nanotechnology – Undergraduate Research Experience (NCN/URE)
Research Topics:
Random and special quasi random structures generator for Complex Concentrated Alloys (CCAs)
Haydn Schroader
MSE – Undergraduate Research
Research Topics:
Systematic machine learning studies for the prediction of hardness/yield strength in engineering steels
Stepan Kolacek
International Research Undergraduate Experience
Research Topics:
Quantum vibrational effects on thermal transport