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Joost VandeVondele
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1

Large scale simulation of pressure induced phase-field frac..:

Zulian, Patrick ; Kopaničáková, Alena ; Nestola, Maria Giuseppina Chiara...
CCF Transactions on High Performance Computing.  3 (2021)  4 - p. 407-426 , 2021
Link: https://doi.org/10.1007/..
 
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2

GridTools: A framework for portable weather and climate app..:

Afanasyev, Anton ; Bianco, Mauro ; Mosimann, Lukas...
SoftwareX.  15 (2021)  - p. 100707 , 2021
Link: https://doi.org/10.1016/..
 
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3

Materials Cloud, a platform for open computational science:

Talirz, Leopold ; Kumbhar, Snehal ; Passaro, Elsa...
Scientific Data.  7 (2020)  1 - p. , 2020
Link: https://doi.org/10.1038/..
 
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4

Dynamics of the Bulk Hydrated Electron from Many‐Body Wave‐..:

Wilhelm, Jan ; VandeVondele, Joost ; Rybkin, Vladimir V.
Angewandte Chemie International Edition.  58 (2019)  12 - p. 3890-3893 , 2019
Link: https://doi.org/10.1002/..
 
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5

Dynamics of the Bulk Hydrated Electron from Many‐Body Wave‐..:

Wilhelm, Jan ; VandeVondele, Joost ; Rybkin, Vladimir V.
Angewandte Chemie.  131 (2019)  12 - p. 3930-3933 , 2019
Link: https://doi.org/10.1002/..
 
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6

Decisive Role of Perimeter Sites in Silica-Supported Ag Nan..:

Corral-Pérez, Juan José ; Bansode, Atul ; Praveen, C. S....
Journal of the American Chemical Society.  140 (2018)  42 - p. 13884-13891 , 2018
Link: https://doi.org/10.1021/..
 
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7

Microcanonical RT-TDDFT simulations of realistically extend..:

Andermatt, Samuel ; Bani-Hashemian, Mohammad Hossein ; Ducry, Fabian...
The Journal of Chemical Physics.  149 (2018)  12 - p. , 2018
Link: https://doi.org/10.1063/..
 
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8

Machine Learning Adaptive Basis Sets for Efficient Large Sc..:

Schütt, Ole ; VandeVondele, Joost
Journal of Chemical Theory and Computation.  14 (2018)  8 - p. 4168-4175 , 2018
Link: https://doi.org/10.1021/..
 
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9

Catalyst support effects on hydrogen spillover:

Karim, Waiz ; Spreafico, Clelia ; Kleibert, Armin...
Nature.  541 (2017)  7635 - p. 68-71 , 2017
Link: https://doi.org/10.1038/..
 
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10

Hydrogen Adsorption on Nanosized Platinum and Dynamics of S..:

Spreafico, Clelia ; Karim, Waiz ; Ekinci, Yasin..
The Journal of Physical Chemistry C.  121 (2017)  33 - p. 17862-17872 , 2017
Link: https://doi.org/10.1021/..
 
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11

Efficient algorithms for large-scale quantum transport calc..:

Brück, Sascha ; Calderara, Mauro ; Bani-Hashemian, Mohammad Hossein..
The Journal of Chemical Physics.  147 (2017)  7 - p. 074116 , 2017
Link: https://doi.org/10.1063/..
 
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12

Nuclear Quantum Effects on Aqueous Electron Attachment and ..:

Rybkin, Vladimir V. ; VandeVondele, Joost
The Journal of Physical Chemistry Letters.  8 (2017)  7 - p. 1424-1428 , 2017
Link: https://doi.org/10.1021/..
 
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13

Calculation of Electrochemical Energy Levels in Water Using..:

Cheng, Jun ; VandeVondele, Joost
Physical Review Letters.  116 (2016)  8 - p. , 2016
Link: https://doi.org/10.1103/..
 
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14

Spin-Unrestricted Second-Order Møller–Plesset (MP2) Forces ..:

Rybkin, Vladimir V. ; VandeVondele, Joost
Journal of Chemical Theory and Computation.  12 (2016)  5 - p. 2214-2223 , 2016
Link: https://doi.org/10.1021/..
 
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15

A generalized Poisson solver for first-principles device si..:

Bani-Hashemian, Mohammad Hossein ; Brück, Sascha ; Luisier, Mathieu.
The Journal of Chemical Physics.  144 (2016)  4 - p. , 2016
Link: https://doi.org/10.1063/..
 
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