REVIEW
|
doi:10.20944/preprints202203.0007.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
machine learning; neural network; Gaussian process regression; curse of dimensionality; high-dimensional model representation; energy conversion and storage; heterogeneous catalysis.
Online: 1 March 2022 (07:04:37 CET)
ARTICLE
|
doi:10.20944/preprints201809.0560.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Schrödinger equation; vibrational spectrum; collocation; inverse multiquadratic function; rectangular matrix
Online: 28 September 2018 (10:15:42 CEST)
REVIEW
|
doi:10.20944/preprints202108.0429.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
oxidation; transition metal compounds; density functional theory; charge self-regulation; oxygen redox.
Online: 23 August 2021 (11:00:48 CEST)
ARTICLE
|
doi:10.20944/preprints201812.0101.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Vibrational spectroscopy; Matched filter; Signal processing; Density functional theory; Anharmonicity
Online: 10 December 2018 (12:41:14 CET)