Previous Software Fellows

Brandon Butler

University of Michigan

2021 Software Fellow

Adviser: Sharon C. Glotzer

MolSSI Software Mentor: Taylor Barnes


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"