Chuck Witt

Chuck Witt Princeton University 2019 Software Fellow Adviser: Prof. Emily Carter MolSSI Software Mentor: Drs. Doaa Altarawy and Matthew Welborn “Development of new horizons for orbital-free density functional theory“

David Williams-Young

View on GitHub David Williams-Young University of Washington 2017 Software Fellow Adviser: Prof. Xiaosong Li MolSSI Software Mentor: Dr. Benjamin Pritchard “Development of high-performance and scalable relativistic electronic structure methods for the ab initio prediction of molecular properties“

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 Adviser: 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“

Oanh Vu

Oanh Vu Vanderbilt University 2017-2019 Software Fellow Adviser: Prof. Jens Meiler MolSSI Software Mentor: Dr. Doaa Altarawy “Machine-learning models used for drug discovery through local similarity-based descriptors with traditional autocorrelation descriptors“

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“