Tag: Ab initio quantum chemistry methods

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A successful phonon calculation within the Quantum Monte Carlo framework

Added to Collection on: 2021-03-31 13:30:00

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Physical sciences
Natural sciences
Chemistry
Japan Advanced Institute of Science and Technology
Nomi, Ishikawa
Theoretical chemistry
Quantum Monte Carlo
Ab initio quantum chemistry methods
Riken
Density functional theory
Exascale computing
Materials informatics
Japan
Kousuke Nakano

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Exploration of the mechanical properties of carbon-incorporated amorphous silica using a ...

Added to Collection on: 2024-02-22 12:37:25

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Theoretical chemistry
Computational chemistry
Computational neuroscience
Market research
Mathematical psychology
Neural network
Ab initio quantum chemistry methods
Interatomic potential
Density functional theory

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