Zachary Windom
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”
Alexander Heide
Alexander Heide University of Georgia 2022-23 Software Fellow Advisor: Prof. Henry F. Schaefer MolSSI Software Mentor: Dr. Benjamin Pritchard “Implementing reaction path methods to explore potential energy surfaces by finding transition states and valley-ridge inflection points”
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 Advisor: 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 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“