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Klawohn, Sascha
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1

Gaussian approximation potentials: Theory, software impleme..:

Klawohn, Sascha ; Darby, James P. ; Kermode, James R....
The Journal of Chemical Physics.  159 (2023)  17 - p. , 2023
Link: https://doi.org/10.1063/..
 
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2

Massively parallel fitting of Gaussian approximation potent..:

Klawohn, Sascha ; Kermode, James R ; Bartók, Albert P
Machine Learning: Science and Technology.  4 (2023)  1 - p. 015020 , 2023
Link: https://doi.org/10.1088/..
 
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3

Self-Consistent Implementation of Hybrid Functionals with L..:

Klawohn, Sascha ; Bahmann, Hilke
Journal of Chemical Theory and Computation.  16 (2020)  2 - p. 953-963 , 2020
Link: https://doi.org/10.1021/..
 
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4

Implementation of modern density functional methods 

gradients for local hybrid functionals and SCF for local ra... 
Klawohn, Sascha , 2019
Link: https://nbn-resolving.de..
 
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5

MVO-10: A Gas-Phase Oxide Benchmark for Localization/Deloca..:

Klawohn, Sascha ; Kaupp, Martin ; Karton, Amir
Journal of Chemical Theory and Computation.  14 (2018)  7 - p. 3512-3523 , 2018
Link: https://doi.org/10.1021/..
 
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6

Implementation of Molecular Gradients for Local Hybrid Dens..:

Klawohn, Sascha ; Bahmann, Hilke ; Kaupp, Martin
Journal of Chemical Theory and Computation.  12 (2016)  9 - p. 4254-4262 , 2016
Link: https://doi.org/10.1021/..
 
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7

Electron transfer pathways in mixed‐valence paracyclophane‐..:

Kaupp, Martin ; Gückel, Simon ; Renz, Manuel...
Journal of Computational Chemistry.  37 (2015)  1 - p. 93-102 , 2015
Link: https://doi.org/10.1002/..
 
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8

Gaussian approximation potentials: Theory, software impleme..:

Klawohn, Sascha ; Darby, James P ; Kermode, James R...
Journal of Chemical Physics.  , 2023
Link: https://aaltodoc.aalto.f..
 
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9

Gaussian Approximation Potentials: theory, software impleme..:

Klawohn, Sascha ; Csányi, Gábor ; Darby, James P...
http://arxiv.org/abs/2310.03921.  , 2023
Link: http://arxiv.org/abs/231..
 
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10

Massively Parallel Fitting of Gaussian Approximation Potent..:

Klawohn, Sascha ; Kermode, James R ; Bartók, Albert P
http://arxiv.org/abs/2207.03803.  , 2022
Link: http://arxiv.org/abs/220..
 
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11

Implementation of modern density functional methods ; gradi..:

Klawohn, Sascha
https://depositonce.tu-berlin.de/handle/11303/9974.  , 2019
Link: https://depositonce.tu-b..
 
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12

Massively parallel fitting of Gaussian approximation potent..:

Sascha Klawohn ; James R Kermode ; Albert P Bartók
https://doi.org/10.1088/2632-2153/aca743.  , 2023
Link: https://doi.org/10.1088/..
 
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