Haoyang Oscar Wu
Haoyang Oscar Wu Massachusetts Institute of Technology 2020 Software Fellow Advisor: Prof. William H. Green MolSSI Software Mentor: Dr. Sina Mostafanejad “Development of self-improving software that automatically predicts the chemical stability and model the radical oxidative degradation kinetics of active pharmaceutical ingredients in the solution“
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 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“