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February 19, 2025, Filed Under: Multiscale Nano Group News

Thermal Energy Constraint for NEMD!

Congratulations to JP! His work, where he introduces a Thermal Energy Constraint (TEC) for thermostatting nonequilibrium molecular dynamics (NEMD) simulations, just appeared in the Journal of Chemical Physics!

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Group News

  • Sequencing Peptides with Single Amino Acid Resolution!
  • Catalysis-Mediated Separation of Critical Minerals
  • Congratulations to Hananeh!
  • Open Positions!
  • Tuning Electron Wind Forces at Interfaces!
  • Group Members Receive CSE Continuing Fellowships!
  • IR Spectra of an Ionic Liquid
  • Alumnus Update!
  • Molecular Denoising using Generative Models!
  • Thermal Energy Constraint for NEMD!

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