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Synonyme wurden verwendet für: Physics
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Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
American Institute of Physics | 2014| -
Machine learning for interatomic potential models
Freier ZugriffAmerican Institute of Physics | 2020| -
Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]
Freier ZugriffAmerican Institute of Physics | 2018| -
FCHL revisited: Faster and more accurate quantum machine learning
Freier ZugriffAmerican Institute of Physics | 2020| -
B97-3c: A revised low-cost variant of the B97-D density functional method
American Institute of Physics | 2018| -
TheoDORE: A toolbox for a detailed and automated analysis of electronic excited state computations
American Institute of Physics | 2020| -
Perspective: Fifty years of density-functional theory in chemical physics
Freier ZugriffAmerican Institute of Physics | 2014| -
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Freier ZugriffAmerican Institute of Physics | 2020| -
Alchemical and structural distribution based representation for universal quantum machine learning
Freier ZugriffAmerican Institute of Physics | 2018| -
The MRCC program system: Accurate quantum chemistry from water to proteins
American Institute of Physics | 2020| -
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory
American Institute of Physics | 2017| -
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics
American Institute of Physics | 2018| -
ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation
American Institute of Physics | 2016| -
r2SCAN-3c: A “Swiss army knife” composite electronic-structure method
American Institute of Physics | 2021| -
How cations affect the electric double layer and the rates and selectivity of electrocatalytic processes
American Institute of Physics | 2019|