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Hi there 👋

I am Juno Nam, a first year PhD student in MIT DMSE & CCSE, advised by Prof. Rafael Gómez-Bombarelli. I work on dynamics-aware materials design, using molecular dynamics, free energy methods, and machine learning. I am trying to do enhanced sampling with myself on the landscape of computational materials research!

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Recent work highlights

  • Nam, J.; Gómez-Bombarelli, R. Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials. arXiv preprint, 2024. [Preprint · Code]
  • Yang, S.; Nam, J.; Dietschreit, J. C. B.; Gómez-Bombarelli, R. Learning Collective Variables with Synthetic Data Augmentation through Physics-inspired Geodesic Interpolation. arXiv preprint, 2024. [Preprint]
  • Nam, J.; Jung, Y. Enhanced Sampling for Free Energy Profiles with Post-Transition-State Bifurcations. J. Chem. Theory Comput. 2023, 19, 2735. [Paper · Preprint]

Juno Nam's Projects

cirpy icon cirpy

Python wrapper for the NCI Chemical Identifier Resolver (CIR)

eqnparse icon eqnparse

4190.306 Automata theory - homework 2 / LL(1) parser

labutil icon labutil

Lab materials for MIT 3.320 and Harvard AP 275

openbabel icon openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

rdkit icon rdkit

The official sources for the RDKit library

rexp icon rexp

4190.306 Automata theory - homework 1

spectral-workbench icon spectral-workbench

Web-based tools for collecting, analyzing, and sharing data from a DIY spectrometer

wxmacmolplt icon wxmacmolplt

wxMacMolPlt is a graphical user interface principally for the GAMESS program

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