Previous Software Fellows

Igor Gayday

Marquette University

2020-2021 Software Fellow

Adviser: Prof. Dmitri Babikov

MolSSI Software Mentor: Dr. Jonathan Moussa

Development of a program for calculation of coupled rotational-vibrational energy levels and their respective lifetimes of three-atomic (and, potentially, tetra-atomic) systems in hyper-spherical (APH) coordinates"

James R. Gayvert

Boston University

2020-2021 Software Fellow

Adviser: Prof. Ksenia Bravaya

MolSSI Software Mentor: Dr. Andrew Abi-Mansour

“Development of an open-source library for the description of metastable electronic states in molecules”

Nadav Geva

Massachusetts Institute of Technology

2017 Software Fellow

Adviser: Prof. Troy Van Voorhis

MolSSI Software Mentor: Dr. Daniel Smith

Energy transfer between organic semiconductors and emerging low dimensionality materials"

Jason Gibson

University of Florida

2021 Software Fellow

Adviser: Prof. Richard Hennig

MolSSI Software Mentor: Dr. Jessica A. Nash

Database and API development of proven machine learning models to accelerate material simulations”

Samuel Greene

University of Chicago

2019-2021 Software Fellow

Adviser: Prof. Timothy Berkelbach and Prof. Jonathan Weare

MolSSI Software Mentor: Dr. Benjamin Pritchard

“Developing randomized linear algebra libraries for efficient quantum chemistry calculations”

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"

Mojtaba Haghighatlari

University at Buffalo

2018-2020 Software Fellow

Adviser: Prof. Johannes Hachmann

MolSSI Software Mentor: Dr. Doaa Altarawy

Advancing Machine Learning Methodology and Software for Data-Driven Discovery in Chemistry"

Jennifer Hays

University of Virginia

2018-2020 Software Fellow

Adviser: Prof. Peter M. Kasson

MolSSI Software Mentor: Dr. Benamin Pritchard

Development of methods and software to integrate complex, multi-modal experimental data into molecular dynamics simulations"

Alex Holehouse

Washington University in St. Louis

2019 Software Fellow

Adviser: Prof. Rohit V. Pappu

MolSSI Software Mentor: Dr. Jessica A. Nash

Development of computational tools to explore and understand bimolecular phase separation of intrinsically disordered proteins"

Aria Hosseini

Massachusetts Institute of Technology

Adviser: Profs. Giuseppe Romano and Keith A. Nelson

MolSSI Software Mentor:

“Development of a package, called OpenKapitza, will wrap around molecular dynamics and density functional theory codes to compute heat transport across inhomogeneous interfaces”