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estherlty/README.md

Hi, I'm Esther :)

Bash Python LAMMPS

I'm a postdoctoral researcher with @SURGroup at the Hopkins Extreme Materials Institute of Johns Hopkins University.
I work on scientific machine learning, molecular dynamics, and equation-of-state models for materials under extreme conditions.


🔭 My work and expertise

  • Developing physics-constrained Gaussian Process Equation-of-State (GP-EOS) models
  • Integrating GP-EOS with hydrocodes for high-energy lasers/ high-compression experimental designs
  • Designing and executing million-atom molecular dynamics simulations on HPC platforms to tackle challenges in material designs

🚀 Interests

  • Materials science under extreme conditions
  • Atomistic simulations for materials discovery

🌱 I’m currently learning ...

  • Density Functional Theory (DFT) and machaine-learned interatomic potentials (MLIP) development
  • Open-source scientific software development

📫 Connect with Me

Popular repositories Loading

  1. estherlty estherlty Public

    Introduction of Esther Liu

  2. md-lammps md-lammps Public

    Input scripts for running @lammps simulations