Sebastian Dick
Research Engineer - Machine Learning at D. E. Shaw Research
New York, New York, United States
Summary
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Senior🎓
Top SchoolSebastian Dick is a computational physicist and research engineer with nine years of experience applying machine learning to molecular simulation and drug discovery. Currently at D. E. Shaw Research, he focuses on ML force fields and developing robust, production-ready tools that bridge classical molecular mechanics with deep learning. His background includes leading a team to build an end-to-end force field parametrization library, creating neural network–based charge models, and optimizing ML software for diverse architectures including GPU inference and C/C++ integrations. He holds a PhD in physics and has a track record of turning research prototypes (e.g., NeuralXC) into well-tested, widely integrable code, demonstrating both scientific rigor and software engineering discipline. Notably, he combines physics-informed model design with practical validation against free energy calculations and experimental data, making his work directly relevant to translational drug research.
9 years of coding experience
5 years of employment as a software developer
Bachelor's degree, Physics, with distinction, Bachelor's degree, Physics, with distinction at Julius-Maximilians-Universität WürzburgMaster of Arts - MA, Physics, Master of Arts - MA, Physics at Stony Brook University
Stackoverflow
91reputation
12kreached
2answers
0questions
Github Skills (26)
dft10
chemistry10
siesta10
correlation8
machine-learning8
cosine-similarity6
exchange6
python6
loops6
dataframe6
numpy6
density-functional-theory6
theory6
altium-designer5
libary5
Programming languages (3)
Github contributions (5)
semodi/neuralxc
Mar 2019 - Jul 2021
Implementation of a machine learned density functional
Contributions:4 releases, 337 commits, 12 PRs in 2 years 4 months
chemistrylearnedneural-networksmachine-learningsiesta
semodi/semodi.github.io
Dec 2018 - Jul 2023
:triangular_ruler: A flexible two-column Jekyll theme perfect for building personal sites, blogs, and portfolios.
Contributions:33 pushes in 4 years 8 months
rulerperfectsitesportfoliosjekyll
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