Anupam A Ojha
Anupam A Ojha University of California San Diego 2021-A Seed Software Fellow Adviser: Prof. Rommie Amaro MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi “Developing a Multiscale Milestoning Simulation Approach for Efficient Protein-Ligand Binding and Unbinding Kinetics”
Justin Provazza
Justin Provazza Boston University 2018-20 Software Fellow MolSSI Software Mentor: Dr. David Coker “Developing a molecular quantum dynamics and spectroscopy package”
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“