Previous Software Fellows
Chaya Stern
Tri-Institutional PhD Program in Chemical Biology
2018-2020 Software Fellow
Adviser: Prof. John Chodera
MolSSI Software Mentor: Dr. Daniel Smith
“Improving molecular models via generating chemically relevant quantum mechanics data to remove bias in data, and quantifying parameter uncertainty due to force field fitting errors"
Torin F. Stetina
University of Washington
2020 Software Fellow
Adviser: Prof. Xiaosong Li
MolSSI Software Mentor: Dr. Benjamin Pritchard
“An efficient implementation of effective QED configuration interaction for high accuracy heavy element chemistry"
Jocelyn Sunseri
University of Pittsburgh
2018 Software Fellow
Adviser: Prof. David Koes
MolSSI Software Mentor: Drs. Jessica Nash and Doaa Altarawy
“Novel algorithms for improving generalization and performance of machine learning models of molecular binding"
Tyler Takeshita
University of California, Berkeley
2018-2020 Software Fellow
Adviser: Prof. Eran Rabani
MolSSI Software Mentor: Dr. Daniel Smith
“Stochastic electronic structure techniques for large-scale molecular systems"
Ruslan Tazhigulov
Boston University
2018 Software Fellow
Adviser: Prof. Ksenia Bravaya
MolSSI Software Mentor: Dr. Doaa Altarawy
“A web application for robust identification, mapping, and visualization of electron/hole transfer channels in proteins and protein families"
Erik Thiede
University of Chicago
2017-2019 Software Fellow
Adviser: Prof. Aaron Dinner and Prof. Jonathan Weare
MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi
“Protein dynamics in the absence of collective variables through dynamics-dependent statistics and the study of partial differential equations"
Rithwik Tom
Carnegie Mellon University
2021 Software Fellow
Adviser: Prof. Noa Marom
MolSSI Software Mentor: Dr. Jonathan Moussa
“Development of crystal structure prediction of molecular co-crystals"
Zhengkai Tu
Massachusetts Institute of Technology
2023-24 Software Fellow
MolSSI Software Mentor:
“Development of a microservice-based synthesis planning tool for accelerating molecular discovery with tree search and machine learning algorithms”
Valeria Rios Vargas
Rutgers University
2023-24 Software Fellow
Advisor: Prof. Michele Pavanello
MolSSI Software Mentor: Dr. Sina Mostafanejad
“Modeling plasmonic nanoparticles and their dynamical interaction with molecules and materials with quantum embedding methods based on subsystem DFT, orbital-free DFT and retardation-including electrodynamics”
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"