David Stelter
Group Leader, Machine Learning And Data
Dunstable, Massachusetts, United States
Summary
👤
Senior🎓
Top SchoolDavid Stelter is a Group Leader in Machine Learning and Data with 11 years of experience applying theoretical and computational chemistry to develop enhanced molecular simulation methods for complex chemical systems. With a Ph.D. from Boston University and a background in physical chemistry, he blends rigorous academic training with hands-on software engineering—contributing backend features and bug fixes to the widely used LAMMPS molecular dynamics code, notably around Generalized Replica Exchange Method implementations. Based in Dunstable, MA, he focuses on sampling algorithms, molecular models, and internal tempering techniques for phase transitions, lipid nanosystems, and biomolecules. Colleagues know him for turning deep physical insight into production-ready simulation tools that bridge research and applied modeling.
11 years of coding experience
Bachelor of Science (B.S.), Bachelor of Science (B.S.) at University of RochesterDoctor of Philosophy (Ph.D.), Doctor of Philosophy (Ph.D.) at Boston University
Github Skills (9)
simulations10
simulation10
lammps10
c-language10
molecular-dynamics-simulation10
cprogramming-language10
molecular-simulation10
dynamics10
mpi8
Programming languages (3)
Github contributions (5)
lammps/lammps
Nov 2016 - Jun 2017
Public development project of the LAMMPS MD software package
Role in this project:
Back-end Developer
Back-end DeveloperContributions:23 commits, 4 PRs, 1 comment in 7 months
Contributions summary:David primarily contributed to the LAMMPS MD software package by implementing features and bug fixes related to the Generalized Replica Exchange Method (gREM) and the handling of NVT/NPT simulations. They added checks for simulation types, enabling NVT simulation with specific fixes, and incorporated internal tempering within the gREM framework. Additional contributions included bug fixes related to parsing mpirun commands and adjustments to match example code related to Teff and exchange parameters. They also added the compute_scalar feature to the fix_grem class.
lammpsmolecular-dynamicssimulationkokkos
dstelter92/POLIR-lammps
Jun 2018 - Jun 2018
polarizible water potential optimized for IR spectroscopy in LAMMPS
Contributions:61 commits, 1 PR, 49 pushes in 17 days
lammps
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