Previous Software Fellows
Brandon Butler
University of Michigan
2021 Software Fellow
Adviser: Sharon C. Glotzer
MolSSI Software Mentor: Taylor Barnes
None
Maria A. Castellanos
Massachusetts Institute of Technology
2022-23 Software Fellow
Advisor: Prof. Mark S. Gordon
MolSSI Software Mentor: Drs. Jonathan Moussa and Benjamin Pritchard
“Development of a Python software package for the high-throughput screening of excited state electronic properties in chromophore aggregates using quantum and classical mechanical methods”
Matthew Chan
University of Illinois at Urbana-Champagne
2021 Software Fellow
Advisor: Diwakar Shukla
MolSSI Software Mentor: Dr. Doaa Altarawy and Dr. Sina Mostafanejad
“Transfer learning to elucidate protein sequence-structure-function relationships”
Victor Chavez
Purdue University
2020-2021 Software Fellow
Adviser: Prof. Adam Wasserman
MolSSI Software Mentor: Dr. Taylor Barnes
“Development and implementation of Partition DFT"
Yunsie Chung
Massachusetts Institute of Technology
2021-A Seed Fellow
Advisor: Prof. William H. Green
MolSSI Software Mentor: Dr. Sina Mostafanejad
“Development of an automatic liquid phase kinetic modeling tool with solvation-corrected kinetic rates and thermochemistry”
Jennifer Clark
North Carolina State University
2019-2021 Software Fellow
Adviser: Prof. Erik Santiso
MolSSI Software Mentor: Dr. Andrew Abi-Mansour
“Developing the first open-source application for thermodynamic calculations for the Statistical Associating Fluid Theory equation of state and associated coarse-graining method"
Ryan J. DiRisio
University of Washington
2020 Software Fellow
Adviser: Prof. Anne B. McCoy
MolSSI Software Mentor: Dr. Jonathan Moussa
“Development of an open source, general-purpose Diffusion Monte Carlo software suited for high-performance computing environments to study vibrational problems"
Emiliano Deustua
Michigan State University
2018-2020 Software Fellow
Adviser: Prof. Piotr Piecuch
MolSSI Software Mentor: Dr. Johnathan Moussa
“Coupled-cluster software using moment expansions and stochastic wave function sampling"
Bradley Dice
University of Michigan
2019-2020 Software Fellow
Adviser: Prof. Sharon C. Glotzer
MolSSI Software Mentor: Dr. Doaa Altarawy
“Developing powerful, parallel analysis tools for studies of soft matter, nanoparticles, and colloidal self-assembly
Sebastian Dick
Stony Brook University
2019-2021 Software Fellow
Adviser: Prof. Marivi Fernandez-Serra
MolSSI Software Mentor: Dr. Sam Ellis
(a) “Improving electronic structure calculations with the help of machine learning”; and (b) ”Development of an open source library for machine learned density functionals"