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