MolSSI Software Scientists

Paul Saxe

Lead Software Scientist

Ph.D. U.C. Berkely

Forcefields, Quantum chemistry, DFT, Biomolecular Simulations, Polymers, Materials

Taylor Barnes

Ph.D., California Institute of Technology

Parallelization, Optimization, Embedding, Batteries

Jing Chen

Ph.D., North Carolina State University

Molecular Dynamics simulations, Web Application Development

Sam Ellis

Ph.D., Iowa State University

Software Engineering, Molecular Programming

Sina Mostafanejad

Ph.D., Florida State University

Electronic Structure Theory, Optimization, HPC, AI & ML, C/C++

Jonathan Moussa

Ph.D., U.C., Berkeley

Computational Physics, Numerical Analysis, Quantum Information Theory

Levi Naden

Ph.D., U. Virginia

Biomolecular Simulation, Workflows, Reproducibility

Jessica A. Nash

Ph.D., North Carolina State University

Molecular Dynamics Simulations, All-Atom Simulations, Nucleic Acids, DNA Nanotechnology, Nanomaterials

Benjamin Pritchard

Ph.D. University at Buffalo

C++, Software interoperability, Code optimization, High-precision computation

Former Software Scientists

Andrew Abi-Mansour

(2019 to 2021)

Ph.D., Indiana University

Schemas, tools that enhance interoperability of different molecular mechanics codes.

Doaa Altarawy

(2017 to 2021)

Ph.D., Virginia Tech

Computer Science, Machine Learning, Algorithms, Software Engineering, Visualization, Computational Biology

Eliseo Marin-Rimoldi

(2018 to 2021)

Ph.D., U. Notre Dame

Monte Carlo, Molecular Simulation, Statistical Mechanics, Advanced Sampling Techniques

Susi Lehtola

(2020 to 2022)

Ph.D., U. of Helsinki

Density Functional Theory, Coupled Cluster Theory, Fully Numerical Methods, Localized Orbitals

Daniel G.A. Smith

(2016 to 2020)

Ph.D., Auburn University

Quantum Chemistry

Matthew Welborn

(2019 to 2020)

Ph.D., MIT

Quantum embedding, machine learning