Xiao Wang

Xiao Wang Purdue University 2022-23 Software Fellow Advisor: Prof. Daisuke Kihara MolSSI Software Mentor: Drs. Jessica Nash, Sam Ellis and Jing Chen “We will develop a computational method for modeling DNA and RNA from cryo-EM maps.”

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”

Ivy Zhang

Ivy Zhang Memorial Sloan Kettering Cancer Center 2020 Software Fellow Adviser: Prof. John Chodera MolSSI Software Mentor: Dr. Levi Naden “Design of SARS-CoV-2 antibodies using free energy calculations“

Jun Zhang

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“

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“

Victor Yu

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“

Yuan Yao

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“

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“