Current Software Scientists

Paul Saxe
Lead Software Scientist
Ph.D., U.C. Berkeley
Forcefields, Quantum chemistry, DFT, Biomolecular Simulations, Polymers, Materials

Andrew Abi-Mansour
Ph.D., Indiana University
Nanoscience, Materials Engineering, Multiscale Simulations

Doaa Altarawy
Ph.D., Virginia Tech
Computer Science, Machine Learning, Algorithms, Software Engineering, Visualization, Computational Biology

Taylor Barnes
Ph.D., California Institute of Technology
Parallelization, Optimization, Embedding, Batteries

Samuel Ellis
Ph.D., Iowa State University
Software Engineering, Molecular Programming

Susi Lehtola
Ph.D., U. of Helsinki
Density Functional Theory, Coupled Cluster Theory, Fully Numerical Methods, Localized Orbitals

Eliseo Marin-Rimoldi
Ph.D., U. Notre Dame
Monte Carlo, Molecular Simulation, Statistical Mechanics, Advanced Sampling Techniques

Mohammad (Sina) Mostafanejad
Ph.D., Florida State University
Electronic Structure Theory, Optimization, HPC, 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 Nash
Ph.D., N.C. State University
Molecular Dynamics Simulations, All-Atom Simulations, Nucleic Acids, DNA Nanotechnology, Nanomaterials

Benjamin Pritchard
Ph.D., U. Buffalo
C++, Software interoperability, Code optimization, High-precision computation
Former Software Scientists

Daniel Smith
(2016 to 2020)
Ph.D., Auburn University
Quantum Chemistry, Task-based Workflows, Rapid Prototyping, Databases

Matthew Welborn
(2019 to 2020)
Ph.D., MIT
Quantum embedding, machine learning