New Preprint on Oxygen-Vacancy Energetics in Perovskites
Manish Kumar and Natalia Ali share first authorship of the new preprint “Local B-Site Chemistry Controls Oxygen-Vacancy Energetics in Ca–Ce–Ti–Mn Perovskites...
News
2026
Sebastian Pujet Coauthors a Preprint on Transfer Learning for Defect Models
Sebastian Pujet coauthored the new preprint “Transfer Learning on Universal Interatomic Potential Embeddings Improves Generalization in Structure-Property De...
Bridget Ferris Selected for the AAAS CASE Workshop
Bridget Ferris was selected as one of four WashU representatives to attend the AAAS Catalyzing Advocacy in Science and Engineering (CASE) Workshop in Washing...
Anna Csiki-Fejer Receives the 2026 Dean’s Award for Teaching Excellence
Anna Csiki-Fejer is one of the recipients of a 2026 Dean's Award for Teaching Excellence . The award recognizes her achievements in un...
New Preprint on Manganese Sulfide Nanocrystals
Junchi Chen and collaborators, including Ray Yang and Manish Kumar, released the preprint “Equilibrium Thermochemistry and Crystallographic Morphology of Man...
Anna Csiki-Fejer Joins the Wexler Group
Anna Csiki-Fejer joined the Wexler Group as a graduate student after completing her undergraduate studies at Saint Louis University. Welcome, Anna!
2025
Eyob Tewelde Passes Pre-Thesis Exam
Eyob Tewelde passed his pre-thesis exam on December 10, 2025. Congratulations, Eyob!
Bridget Ferris Passes Pre-Thesis Exam
Bridget Ferris passed her pre-thesis exam on December 5, 2025. Congratulations, Bridget!
FreeBird.jl Published in the Journal of Chemical Theory and Computation
Ray Yang, Junchi Chen, Douglas Thibodeaux, and Rob Wexler published “FreeBird.jl: An Extensible Toolbox for Simulating Interfacial Phase Equilibria” in the J...
Sebastian Pujet Joins the Wexler Group
Sebastian Pujet joined the Wexler Group as an undergraduate researcher. He studies chemical engineering and computer science and will work with Eyob Tewelde ...
Phoebe Taylor Joins the Wexler Group
Phoebe Taylor joined the Wexler Group as an undergraduate researcher in computer science for summer 2025. Welcome, Phoebe!
Ray M. Yang Is Inducted into Bouchet Graduate Honor Society
Ray M. Yang has been inducted into the Bouchet Graduate Honor Society , a national organization that honors scholars who exemplify aca...
Matthew Rao Joins the Wexler Group through Summer Research Program
We welcome Matthew Rao to the Wexler Group through the Center for the Environment’s summer research program! Matthew will work with Rob Wexler and Junchi Che...
Junchi Chen Receives an APS Travel Award
Junchi Chen received a travel award from the American Physical Society’s Division of Computational Physics to support his participation in the 2025 APS Globa...
Ray Yang Co-Organizes a JuliaCon 2025 Minisymposium
Ray Yang and Rob Wexler are co-organizing the Computational Chemistry and Materials Science Minisymposium at JuliaCon 2025, alongside Letícia Maria Pequeno M...
2024
Audrey Hooper Joins the Wexler Group
We welcome Audrey Hooper to the Wexler Group as an undergraduate researcher! Audrey, who studies chemistry and physics, will begin research in spring 2025, w...
Bridget Ferris and Eyob Tewelde Join the Wexler Group
Bridget Ferris and Eyob Tewelde joined the Wexler Group as graduate students.
Junchi Chen Passes Pre-Thesis Exam
Junchi Chen, the first Ph.D. student in the Wexler Group, passed his pre-thesis exam. Congratulations, Junchi!
Douglas Thibodeaux Joins the Wexler Group
Douglas Thibodeaux joined the Wexler Group as an undergraduate researcher in chemistry. He will work with Ray Yang on computational research. Welcome, Douglas!
2023
Junchi Chen Joins the Wexler Group
Junchi Chen joined the Wexler Group as a graduate student. He earned his master’s degree from Southern University of Science and Technology and will pursue r...
Manish Kumar Joins the Wexler Group
Manish Kumar joined the Wexler Group as a postdoctoral research associate. He earned his Ph.D. from the Indian Institute of Science Education and Research Bh...
Wexler Group Receives DOE Grant for Solar Thermochemical Hydrogen Production
The Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE), through its Hydrogen and Fuel Cell Technologies Office (HFTO) program, aw...
Wexler Group Adds ‘dragon’ Server
The Wexler Group added dragon, a Dell T550 server, to support computational research on energy and the environment.
Avital Isakov Receives Astronaut Scholarship
Avital Isakov was awarded an Astronaut Scholarship for the 2023–2024 academic year. Congratulations, Avital!
Wexler Group Receives NSF Grant for Research on Nanocrystal Structure Control
The National Science Foundation (NSF) awarded the Wexler Group a grant to study the thermochemistry and chemical kinetics of halide-driven crystal structure ...
Wexler Group and Colleagues Receive TRIADS Seed Grant
The Wexler Group is one of 10 teams selected for the TRIADS Seed Grants. The team includes Robert Lunde from Math/Statistics and Betsy Sinclair from Politica...
Avital Isakov Is Selected for the SULI Program
Avital Isakov was selected to participate in the Science Undergraduate Laboratory Internships (SULI) Program at the National Renewable Energy Laboratory. Und...
Wexler Group Receives ALCF Director’s Discretionary Allocation
The Argonne Leadership Computing Facility (ALCF) awarded the Wexler Group 50,000 node-hours on the Theta supercomputer through its Director’s Discretionary (...
Ethan Nussinov Joins the Wexler Group
Ethan Nussinov, a data science major at WashU, joined the Wexler Group and will develop computational methods for predicting the thermodynamics of defects in...
2022
Nancy Patel Joins the Wexler Group
Nancy Patel, a WashU student pursuing the Computer Science + Math joint major and a second major in economics, joined the Wexler Group. She will develop comp...
Ray M. Yang Joins the Wexler Group
Ray M. Yang joined the Wexler Group after earning a Ph.D. in physics from the New Zealand Institute for Advanced Study at Massey University. He will develop ...
Avital Isakov Joins the Wexler Group
Avital Isakov, a chemistry major at WashU, joined the Wexler Group and will study the thermodynamics of defects in metal oxides. Welcome, Avital!
Wexler Group Adds ‘bear’ Server
The Wexler Group added bear, a Dell T550 server, to support computational research on energy and the environment.
Wexler Group Opens
The Wexler Group is open.