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Freedman




✨ Do it. Do it more. Do it again. Fail. Fail better. ---M. Atwood ✨

Education

  • B.S. in Chemical Engineering and Technology, Taiyuan University of Technology (TYUT), Sep 2012 - Jul 2016
  • M.S. in Theoretical and computational chemistry, East China University of Science and Technology (ECUST), Sep 2016 - Jul 2019
  • PhD. in Theoretical and computational chemistry, Nanjing University (NJU), Aug 2019 - Dec 2023
  • Postdoct in Theoretical and computational chemistry, university of Maryland, Baltimore (UMB), Feb 2024 - present

Research

  • Polarizable force field of ionic liquids (ILs)
  • Neural network potentials of ionic liquids
  • Peptide selfassembly

Bob's Projects

atlas icon atlas

A brain for self-driving laboratories

cgnet icon cgnet

learning coarse-grained force fields

deepmd-kit icon deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

ir-spectra icon ir-spectra

Code and examples to compute IR spectra from normal mode analysis

pso-ann icon pso-ann

Particle Swarm Optimization (PSO) to optimize Artificial Neural Network (ANN)

quip icon quip

libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org

tips-and-tricks icon tips-and-tricks

Things I've found helpful during the course of my scientific career.

torchani icon torchani

Accurate Neural Network Potential on PyTorch

training icon training

Lab policies, training, style guides, etc.

trieste icon trieste

A Bayesian optimization toolbox built on TensorFlow

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