SLAC National Accelerator Laboratory
Showing 1-70 of 70 Results
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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 -
Suman Bhasker Ranganath
Postdoctoral Scholar, Photon Science, SLAC
Current Research and Scholarly InterestsDevelopment of machine-learning models from high-throughput catalysis simulations.
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Igor Daniel de Araujo Evangelista
Postdoctoral Scholar, Photon Science, SLAC
BioDr. Evangelista's primary research focus lies in computational modeling and theoretical analysis of semiconductor materials using advanced quantum mechanical methods, including Density Functional Theory, Quantum Monte Carlo, and ab-initio Molecular Dynamics. Evangelista investigates the electronic, structural, and mechanical properties of materials, collaborating closely with experimental groups to bridge theoretical predictions with empirical results. He is also interested in the development of empirical potentials and enhancing materials modeling through the application of machine learning techniques.
Evangelista entered the Department of Materials Science and Engineering at the University of Delaware as a Ph.D. candidate in 2018, after completing an master degree in Physics 2016-2018 at Federal Fluminense University (Brazil). Recent work includes collaborations with experimental groups to bridge theoretical predictions with empirical results, as well as applying machine learning to creating of empirical potentials to accelerate materials modeling. Evangelista has also contributed to understanding electron mobility in metal-oxide semiconductors and strain effects in two-dimensional materials. These studies showcase his expertise in electronic structure and materials design for next-generation semiconductor technologies. -
Maitrayee Ghosh
Postdoctoral Scholar, Photon Science, SLAC
BioI am a postdoctoral scholar at the High Energy Density Sciences Division in the SLAC National Accelerator Laboratory in the Stanford University. I have received my PhD from the University of Rochester in 2023 in high-pressure chemistry. My research interests include theoretical and computational investigations of materials in both ambient and high-pressure regimes, that can be relevant for planetary sciences and inertial confinement fusion. I hail from Kolkata, India, and enjoy reading fictions and traveling in my leisure.
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Sheikh Rubaiat Ul Haque
Postdoctoral Scholar, Photon Science, SLAC
BioRubaiat received his undergraduate degree in Applied Physics from the University of Tokyo in 2017. He then moved to the University of California San Diego where he finished his PhD in Physics under Professor Richard Averitt in 2023. During his PhD, he discovered light-induced terahertz parametric amplification and photonic time crystal state in excitonic insulator candidate Ta2NiSe5. He has also demonstrated efficient nonresonant nonlinear magnon generation in a Mott insulating Heisenberg antiferromagnet Sr2IrO4 as well as broadband optical control of plasmonic modes in semiconducting metamaterials.
Currently, Rubaiat is a postdoctoral scholar at Stanford University working on terahertz field-induced ultrafast dynamics in van der Waals magnets under the guidance of Professors Tony Heinz and Aaron Lindenberg. He has shown that intense terahertz pulses can modulate symmetry and drive transitions to a hidden ferrimagnetic state in van der Waals antiferrognet MnPS3. He has recently extended his research to THz spectroscopy of 2D materials. His broader interests also include cavity control and Floquet/Kapitza engineering of quantum materials. -
Sathya Narayanan Jagadeesan
Postdoctoral Scholar, Photon Science, SLAC
BioSathya Narayanan Jagadeesan is a postdoctoral scholar at the SLAC-Stanford Battery Center, with joint appointments in the Applied Energy Division at SLAC National Accelerator Laboratory and the Department of Materials Science and Engineering at Stanford University. He earned his Ph.D. in Chemical Engineering from Worcester Polytechnic Institute. His research focuses on earth-abundant and non-critical battery chemistries, including aqueous iron, sodium-sulfur, and sodium-ion systems, using advanced synchrotron X-ray characterization and data-driven approaches to understand interfacial chemistry and degradation mechanisms. His work aims to advance scalable and resilient energy storage technologies that reduce reliance on critical materials and strengthen the reliability of modern electric grids. He is driven by translating fundamental insights into practical solutions that support long-duration and widely deployable energy storage.
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Jiarui Li
Postdoctoral Scholar, Photon Science, SLAC
BioI am currently a postdoctoral condensed matter experimentalist, material physicist, optical spectroscopist, and X-ray scatterer at Stanford University and SLAC National Lab. At Stanford, I work jointly with Harold Hwang and Wei-Sheng Lee on investigating the complex interplay between charge, spin, lattice, and orbital degrees of freedom in functional oxide quantum materials under extreme (strain) conditions. My expertise lies in the use of scattering, spectroscopy and imaging techniques to investigate materials, utilizing a range of photon sources from high-brightness X-rays generated at large synchrotron light sources, to lab laser source.
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Christopher J. Miller
Postdoctoral Scholar, Photon Science, SLAC
BioI am a chemist and Postdoctoral Scholar at SLAC National Accelerator Laboratory, where my research focuses on the core challenges of electrochemical energy conversion and sustainable chemistry. Working within the DOE BETO CO2RUe consortium, I investigate the dynamic behavior of catalysts in CO₂ electrolyzers. My primary approach involves using advanced operando characterization techniques, particularly X-ray Absorption Spectroscopy (XAS), to build comprehensive models that link a catalyst's atomic-scale structure to its real-world device performance.
My philosophy is that progress requires bridging fundamental science with practical systems engineering. To that end, my expertise includes the ground-up design, construction, and automation of experimental systems. I specialize in building fully integrated electrochemical test stations and gas delivery infrastructure, tailored to deliver high-quality, reproducible data with robust safety features and remote-operation capabilities. Complementing this hardware, I develop custom MATLAB software suites to automate data processing and analysis, significantly accelerating the path from raw data to actionable scientific insight.
In addition to my research, I am deeply committed to education and professional service. As a recent fellow in Stanford's Preparing Future Professors (PFP) program, I received formal training in pedagogy and gained direct mentorship experience at San Jose State University. This commitment extends to the broader scientific community through my long-standing leadership roles within the American Chemical Society (ACS), where I contribute to governance, chemical safety initiatives, and professional development for younger chemists. I am always interested in discussing new collaborations at the intersection of spectroscopy, catalysis, and system design. -
Dr. Christopher T. Parzyck
Postdoctoral Scholar, Photon Science, SLAC
BioMy research interests lie at the intersection of materials science and condensed matter physics. I work on thin film synthesis of oxide and metal systems by molecular-beam epitaxy (MBE). Applications range from answering fundamental physics questions about high temperature superconductivity to developing practical synthesis routines and new materials for next generation electron sources. In addition, I work on projects involving spectroscopic probes of thin film systems, including angle-resolved photoemission spectroscopy (ARPES) and resonant soft x-ray scattering (RSXS) measurements.
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Weiyu Qian
Postdoctoral Scholar, Photon Science, SLAC
BioWeiyu Qian is a postdoctoral researcher at the PLUSE Institute. He is focusing on the spectroscopic characterization of fleeting species and chemical reaction paradigm. He received Walter Benjamin Fellowship from DFG.
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Dongjae Shin
Postdoctoral Scholar, Photon Science, SLAC
BioMy current research focuses on the design of catalytic materials. I have studied atomistic phenomena on catalytic surfaces to develop materials with improved catalytic capability under the philosophy of rational design. To achieve this goal, I use computational approaches, e.g., first-principles calculations and artificial intelligence (AI). Applications include heterogeneous catalysis for exhaust emission control, hydrogen production, and utilization of emission gas to realize carbon neutralization.
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MANUEL RAFAEL VEJAR
Postdoctoral Scholar, Photon Science, SLAC
BioManuel (Manny) Vejar is a postdoctoral scholar at SLAC National Accelerator Laboratory, specializing in synchrotron X-ray fluorescence imaging and X-ray absorption spectroscopy to study environmental and rhizosphere biogeochemistry at the Stanford Synchrotron Radiation Lightsource.
He received his Ph.D. in the Civil & Environmental Engineering & Earth Sciences department at the University of Notre Dame in 2024. His doctoral research focused on the impacts of iron-oxide mineral complexity on the fate and transport of plutonium in nuclear waste repository and/or legacy environmental contamination settings. Specifically, he studied the influence of Al-substitution in iron (oxyhydr)oxide minerals on the redox and speciation behavior of plutonium at the mineral-water interface, employing M4-edge high-energy resolution fluorescence-detected X-ray absorption near-edge structure (HERFD-XANES) spectroscopy to determine the oxidation state and L3-edge extended X-ray absorption fine-structure (EXAFS) spectroscopy to determine coordination environment of the plutonium associated with these minerals.
He has over 7 years of experience with synchrotron techniques (micro-X-ray fluorescence imaging, XANES, and EXAFS), and their applications to study metal(loid)s in environmental systems. During his career, Manny has conducted work at the Stanford Synchrotron Radiation Lightsource, the Advanced Photon Source, and the European Synchrotron Radiation Facility, while collaborating with Chapman University, the Institute of Resource Ecology at the Helmholtz-Zentrum Dresden-Rossendorf, and more recently Oak Ridge, Pacific Northwest, and Livermore national labs, and the University of Puerto Rico in Mayaguez. Prior to his Ph.D. at the University of Notre Dame, Manny obtained his B.Sc. in Geology from the California State Polytechnic University, Pomona. -
Zhichen Xue
Postdoctoral Scholar, Photon Science, SLAC
BioWith his experience in design and synthesis of energy materials, he is dedicated to informing the development of next-generation battery materials through interdisciplinary research and applications. His recent research mainly focuses on advanced synchrotron characterization techniques and advanced cathode materials.
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Zisheng Zhang
Postdoctoral Scholar, Photon Science, SLAC
BioZisheng Zhang is an incoming Assistant Professor of Chemical Engineering, starting in Fall 2026. He is currently a Stanford Energy Fellow at SUNCAT Center for Interface Science and Catalysis, co-hosted by Dr. Frank Abild-Pedersen (SLAC) and Prof. Thomas Jaramillo (Chemical Engineering). He is interested in physics-steered, complexity-driven, and AI-accelerated simulations for understanding, design, and discovery of novel functional catalysts, materials, molecules, and interfaces.
ZZ grew up in Wuhan and received undergraduate training in both experimental and computational chemistry at South University of Science and Technology of China (with Prof. Jun Li) and University of California, Los Angeles (with Prof. Anastassia N. Alexandrova). He then stayed at UCLA and obtained his M.Sc. and Ph.D. in Theoretical and Computational Chemistry. During PhD study, he did research internship at Argonne National Lab in 2022 with Dr. Maria Chan. -
Kewei Zhao
Postdoctoral Scholar, Photon Science, SLAC
Current Research and Scholarly InterestsInvestigation of catalytic mechanism of metalloenzyme with spectroscopy methods.
