Stanford University
Showing 1-5 of 5 Results
-
Changzhi Ai
Postdoctoral Scholar, Photon Science, SLAC
BioChangzhi Ai is a Postdoctoral Researcher at the SUNCAT Center for Interface Science and Catalysis at Stanford University and SLAC National Accelerator Laboratory. He specializes in developing machine learning models for surface and interfacial chemistry, with broader expertise in atomistic modeling for materials science and chemistry. His research also explores agentic AI for scientific discovery, automation of active learning workflows, global optimization algorithms, and high-throughput materials screening. He obtained his PhD from the Technical University of Denmark.
His current research focuses on the development of scalable, physically informed machine learning potentials, particularly equivariant neural network architectures, for accurately modeling complex chemical environments. His work spans heterogeneous catalysis, multi-metallic alloy design, reaction kinetics, and surface and interfacial chemistry, with an emphasis on uncovering structure–property relationships at the atomic scale.
In addition, he has extensive experience integrating machine learning models into simulation pipelines and deploying them in large-scale computational environments. His technical expertise includes deep learning frameworks such as PyTorch, distributed training (DDP and multi-node GPU systems), and scientific computing tools including LAMMPS, ASE, and TorchScript/LibTorch for production-level deployment. He also develops end-to-end automated workflows for data generation, model training, and adaptive sampling in materials discovery.
Keywords:
Machine Learning Potentials (Equivariant GNNs), Atomistic Simulations, Molecular Dynamics, Active Learning & Workflow Automation, High-Throughput Screening, Global Optimization Algorithms, Scientific Machine Learning, Distributed GPU Computing, PyTorch & TorchScript, LAMMPS Integration, ASE, HPC Systems, Data-Driven Materials Discovery
Code & Projects:
GitHub: https://github.com/changzhiai -
Marwa Atwa
Postdoctoral Scholar, Photon Science, SLAC
BioMarwa Atwa is a postdoctoral scholar at Nanoscale Prototyping Laboratory (NPL), focusing on developing durable electrodes for hydrogen fuel cells. She got her Ph.D. in Chemistry from the University of Calgary in 2021 under the supervision of Professor Viola Birss, where she mastered different skills in both material science and electrochemistry fields. During her Ph.D. studies, she developed and tested highly active cathodes for hydrogen fuel cells based on novel nanoporous carbon films made from uniform and bimodal porous structures. Before joining the University of Calgary, Marwa received her M. Sc. And B. Sc. degrees in Chemistry from Suez Canal University, where her research focused on protecting low-carbon steel from corrosion in an acidic medium by applying various nanoengineered metal and alloys coatings using electroplating technique.
