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Journal of Chemical Theory and Computation
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February 9, 2023
Gaussian Process Regression Models for Predicting Atomic Energies and Multipole Moments
Matthew J Burn, Paul L A Popelier
Journal of Computational Chemistry
|
September 27, 2022
Producing chemically accurate atomic Gaussian process regression models by active learning for molecular simulation
Matthew J Burn, Paul L A Popelier
The Journal of Chemical Physics
|
August 11, 2020
Creating Gaussian process regression models for molecular simulations using adaptive sampling
Matthew J Burn, Paul L A Popelier
Journal of Computational Chemistry
|
August 31, 2024
Ichor: A Python library for computational chemistry data management and machine learning force field development
Yulian T Manchev, Matthew J Burn, Paul L A Popelier
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
February 9, 2023
Gaussian Process Regression Models for Predicting Atomic Energies and Multipole Moments
Matthew J Burn, Paul L A Popelier
Journal of Computational Chemistry
|
September 27, 2022
Producing chemically accurate atomic Gaussian process regression models by active learning for molecular simulation
Matthew J Burn, Paul L A Popelier
The Journal of Chemical Physics
|
August 11, 2020
Creating Gaussian process regression models for molecular simulations using adaptive sampling
Matthew J Burn, Paul L A Popelier
Journal of Computational Chemistry
|
August 31, 2024
Ichor: A Python library for computational chemistry data management and machine learning force field development
Yulian T Manchev, Matthew J Burn, Paul L A Popelier
Page
of 1