Previous Software Fellows
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"
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"
Zachary Windom
University of Florida
2022-23 Software Fellow
Advisor: Prof. Rodney Bartlett
MolSSI Software Mentor: Dr. Taylor Barnes
“Developing an economical way of capturing strong correlation effects using a Coupled Cluster method based entirely on T2”
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"
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"
Jing Yang
University of Pennsylvania
2018 Software Fellow
Adviser: Prof. Andrew Rappe
MolSSI Software Mentor: Dr. Taylor Barnes
“Development of a ‘multi-functional’ optimized pseudopotential generator for accurate prediction of solids properties in density functional theory simulations"
Yuan Yao
Cornell University
2020-2021 Software Fellow
Adviser: Prof. Cyrus Umrigar
MolSSI Software Mentor: Dr. Benjamin Pritchard
“Improving basis set convergence in the semistochastic heatbath configuration interaction (SHCI) method"
Victor Yu
Duke University
2019-2021 Software Fellow
Adviser: Prof. Volker Blum
MolSSI Software Mentor: Dr. Jonathan Moussa
“Development of an open source software interface bridging electronic structure code to high-performance eigensolvers and density matrix solvers"
Boyi Zhang
University of Georgia
2017-2019 Software Fellow
Adviser: Prof. Fritz Schaefer
MolSSI Software Mentor: Drs Doaa Altarawy and Taylor Barnes
“Development of a unified software platform that effectively implements various adaptive Quantum Mechanics/Molecular Mechanics (QM/MM) methods"
Jun Zhang
University of Illinois
2017 Software Fellow
Adviser: Prof. So Hirata
MolSSI Software Mentor: Dr. Bejnamin Pritchard
“Development of Ab initio quantum chemical calculations of periodic solids using Monte Carlo algorithms"