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rexp's Introduction

Hi there 馃憢

I am Juno Nam, a first year PhD student in MIT DMSE & CCSE, advised by Prof. Rafael G贸mez-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

  • Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials
    J. Nam and R. G贸mez-Bombarelli, arXiv:2404.10746. [Preprint 路 Code]
  • Learning Collective Variables with Synthetic Data Augmentation through Physics-inspired Geodesic Interpolation
    S. Yang*, J. Nam*, J. C. B. Dietschreit, and R. G贸mez-Bombarelli, arXiv:2402.01542. [Preprint 路 Code]
  • Enhanced Sampling for Free Energy Profiles with Post-Transition-State Bifurcations
    J. Nam and Y. Jung, J. Chem. Theory Comput. 19, 2735 (2023). [Paper 路 Preprint]

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