Bryce M. Westheimer
Bryce M. Westheimer Iowa State University 2020-2021 Software Fellow Adviser: Prof. Mark S. Gordon MolSSI Software Mentor: Dr. Taylor Barnes “Development of a high-performance, open source library for fragment-based ab initio quantum chemistry simulations“
Geemi P. Wellawatte
Geemi P. Wellawatte University of Rochester 2020 Software Fellow Adviser: Prof. Andrew White MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi “Development of an automated, complete coarse-grained simulation model“
Michael D. Ward
Michael D. Ward Washington University School of Medicine 2020 Software Fellow Advisor: Prof. Gregory R. Bowman MolSSI Software Mentor: Dr. Sina Mostafanejad “Deep learning to identify the mechanistic basis for biochemical differences between protein variants“
Zhi Wang
View on GitHub Zhi Wang Washington University in St. Louis 2019 Software Fellow Adviser: Prof. Jay W. Ponder MolSSI Software Mentor: Dr. Andrew Abi-Mansour “GPU-accelerated library of the next-generation force fields and enhanced sampling methods for molecular dynamics simulations“
Rithwik Tom
Rithwik Tom Carnegie Mellon University 2021 Software Fellow Adviser: Prof. Noa Marom MolSSI Software Mentor: Dr. Jonathan Moussa “Development of crystal structure prediction of molecular co-crystals“
Erik Thiede
View on GitHub View on GitHub View on GitHub Erik Thiede University of Chicago 2017-2019 Software Fellow Adviser: Prof. Aaron Dinner and Prof. Jonathan Weare MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi “Protein dynamics in the absence of collective variables through dynamics-dependent statistics and the study of partial differential equations“
Ruslan Tazhigulov
View Website View Documentation Ruslan Tazhigulov Boston University 2018 Software Fellow Adviser: Prof. Ksenia Bravaya MolSSI Software Mentor: Dr. Doaa Altarawy “A web application for robust identification, mapping, and visualization of electron/hole transfer channels in proteins and protein families“
Tyler Takeshita
Tyler Takeshita University of California, Berkeley 2018-2020 Software Fellow Adviser: Prof. Eran Rabani MolSSI Software Mentor: Dr. Daniel Smith “Stochastic electronic structure techniques for large-scale molecular systems“
Jocelyn Sunseri
View on GitHub Jocelyn Sunseri University of Pittsburgh 2018 Software Fellow Adviser: Prof. David Koes MolSSI Software Mentor: Drs. Jessica Nash and Doaa Altarawy “Novel algorithms for improving generalization and performance of machine learning models of molecular binding“