Victor Chavez

Victor Chavez Purdue University 2020-2021 Software Fellow Adviser: Prof. Adam Wasserman MolSSI Software Mentor: Dr. Taylor Barnes “Development and implementation of Partition DFT“

Giuseppe Barbalinardo

Giuseppe Barbalinardo University at California, Davis 2019 Software Fellow Adviser: Prof. Davide Donadio MolSSI Software Mentor: Dr. Doaa Altarawy “Development of an open source framework to model heat transport at the nanoscale”

Caitlin Bannan

View on Github View Documentation Caitlin Bannan University of California, Irvine 2018-2020 Software Fellow Adviser: Prof. David L. Mobley MolSSI Software Mentor: Dr. Jessica A. Naxh “Development of an open source tool using Bayesian inference to automatically sample chemical perception for parameterization of molecular mechanics force fields”

Patrick Avery

Patrick Avery University at Buffalo 2017 Software Fellow Adviser: Prof. Eva Zurek MolSSI Software Mentor: Dr. Daniel Smith “Developing algorithms for molecular crystal structure prediction and their implementation in XtalOpt, an open-source evolutionary algorithm“

Adam S. Abbott

View on Github Adam S. Abbott University of Georgia 2018 Software Fellow Adviser: Prof. Fritz Shaefer MolSSI Software Mentor: Drs. Daniel Smith and Doaa Altarawy “Generalized software interface between quantum chemistry packages and neural network algorithms to facilitate the construction of potential energy surfaces“

Alon Grinberg Dana

Alon Grinberg Dana Massachusetts Institute of Technology 2020 Software Fellow Adviser: Prof. William H. Green MolSSI Software Mentor: Dr. Matthew Welborn “Improving electronic structure calculations with the help of machine learning”,”Development of an open source library for machine learned density functionals“

Yunsie Chung

Yunsie Chung Massachusetts Institute of Technology 2021-A Seed Fellow Adviser: Prof. William H. Green MolSSI Software Mentor: “Development of an automatic liquid phase kinetic modeling tool with solvation-corrected kinetic rates and thermochemistry”

Matthew Chan

Matthew Chan University of Illinois at Urbana-Champagne 2021 Software Fellow Adviser: Diwakar Shukla MolSSI Software Mentor: Doaa Altarawy, Sina Mostafanejad “Transfer learning to elucidate protein sequence-structure-function relationships”

Samragni Banerjee

Samragni Banerjee The Ohio State University 2020-2021 Software Fellow Adviser: Alexander Y. Sokolov MolSSI Software Mentor: Drs. Jessica A. Nash and Susi Lehtola “Efficient Implementation of Algebraic Diagrammatic Construction Theory for Accurate Simulations of Electron Ionization and Attachment”

Brandon Butler

Brandon Butler University of Michigan 2021 Software Fellow Adviser: Sharon C. Glotzer MolSSI Software Mentor: Taylor Barnes None