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Category:Computational Physics

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Pages in category "Computational Physics"

The following 10 pages are in this category, out of 10 total.

A

  • Approximating Excited States using Neural Networks

C

  • Charged surfaces and slabs in periodic boundary conditions
  • Chemical Reactivity Studies by the Natural-Orbital-Functional 2nd-Order-Moller-Plesset (NOF-MP2) method. Water Dehydrogenation by the Scandium Cation

E

  • Efficient Gaussian Process Regression for prediction of molecular crystals harmonic free energies

I

  • In Vitro Electron Density Refinement from Solution X-ray Scattering in the Wide-Angle Regime

M

  • Machine Learning Dielectric Screening for the Simulation of Excited State Properties of Molecules and Materials
  • Metadynamics sampling in atomic environment space for collecting training data for machine learning potentials

N

  • New Method for Simulating Photoprocesses in Astrochemical Models

O

  • On discontinuities when computing the stress-field from the strain: a finite volume discretization

P

  • Photoinduced Nonperturbative Valley Polarization in Graphene
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Category:
  • Physics


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