Yury Polyachenko
Theoretical Chemistry PhD Candidate'27
New Jersey, United States
Summary
👤
Senior🎓
Top SchoolYury Polyachenko is a theoretical chemist and computational physicist pursuing a PhD at Princeton with eight years’ experience in multiscale molecular dynamics, from DFT/ab-initio to coarse-grained models. He develops AI-powered pipelines for ultra-coarse-grained protein models and built a BRD4–chromatin model whose MD predictions about transcriptional condensate nucleation were later experimentally confirmed. His work spans nanopore free-energy calculations, GPU-accelerated MD engines, and DFT studies of plasma processing of 2D materials where he identified sputtering thresholds and adsorption free energies. Comfortable in C++, Python and HPC (MPI/OpenMP/CUDA), he combines rigorous theory with practical tooling and mentorship, having secured fellowships and mentored undergraduates into coauthorship. Ambitious to bring DFT-level accuracy to biological scales, he explores QM/MM and neural-network potentials to bridge quantum and mesoscale simulations.
8 years of coding experience
3 years of employment as a software developer
Bachelor's degree, Condensed Matter and Materials Physics, Bachelor's degree, Condensed Matter and Materials Physics at Moscow Institute of Physics and Technology (State University) (MIPT)Doctor of Philosophy - PhD, Theoretical Chemistry, Doctor of Philosophy - PhD, Theoretical Chemistry at Princeton University
English, Russian, French
Stackoverflow
1reputation
0reached
0answers
0questions
Github Skills (20)
vmd9
pdb-files9
pdb8
dynamics8
simulation7
python7
systems-biology7
monte-carlo6
bioinformatics6
fenics6
water6
biophysics6
lammps5
simulations5
molecular-simulation5
Programming languages (8)
Github contributions (5)
PolyachenkoYA/1iee
Jul 2020 - Mar 2025
Contributions:81 pushes, 1 branch in 4 years 8 months
PolyachenkoYA/water_MD
May 2020 - Sep 2020
lammps water simulation
Contributions:14 commits, 1 PR, 13 pushes in 4 months
waterlammpspythonsimulation
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