Boyi Zhang
View on GitHub 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“
Patricia Vindel Zandbergen
Patricia Vindel Zandbergen Rutgers University 2021 Software Fellow Adviser: Prof. Neepa T. Maitra MolSSI Software Mentor: Dr. Sina Mostafanejad “Implementation and development of mixed quantum classical methods to study laser driven molecular dynamics within the framework of the Exact Factorization approach“
Jing Yang
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“
Haoyang Oscar Wu
Haoyang Oscar Wu Massachusetts Institute of Technology 2020 Software Fellow Adviser: 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“