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Weber, Valéry
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1

MolGrapher: Graph-based Visual Recognition of Chemical Stru..:

, In: 2023 IEEE/CVF International Conference on Computer Vision (ICCV),
Morin, Lucas ; Danelljan, Martin ; Agea, Maria Isabel... - p. 19495-19504 , 2023
Link: https://doi.org/10.1109/..
 
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2

CP2K: An electronic structure and molecular dynamics softwa..:

Kühne, Thomas D. ; Iannuzzi, Marcella ; Del Ben, Mauro...
The Journal of Chemical Physics.  152 (2020)  19 - p. , 2020
Link: https://doi.org/10.1063/..
 
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3

Comparison of computational methods for the electrochemical..:

Binninger, Tobias ; Marcolongo, Aris ; Mottet, Matthieu..
Journal of Materials Chemistry A.  8 (2020)  3 - p. 1347-1359 , 2020
Link: https://doi.org/10.1039/..
 
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4

Computational Study of Lithium Titanate as a Possible Catho..:

Weber, Valéry ; Laino, Teodoro ; Curioni, Alessandro...
The Journal of Physical Chemistry C.  119 (2015)  18 - p. 9681-9691 , 2015
Link: https://doi.org/10.1021/..
 
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5

Importance of Hydrophilic Hydration and Intramolecular Inte..:

Tomar, Dheeraj S. ; Weber, Valéry ; Pettitt, B. Montgomery.
The Journal of Physical Chemistry B.  120 (2015)  1 - p. 69-76 , 2015
Link: https://doi.org/10.1021/..
 
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6

Semiempirical Molecular Dynamics (SEMD) I: Midpoint-Based P..:

Weber, Valéry ; Laino, Teodoro ; Pozdneev, Alexander..
Journal of Chemical Theory and Computation.  11 (2015)  7 - p. 3145-3152 , 2015
Link: https://doi.org/10.1021/..
 
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7

Sparse matrix multiplication: The distributed block-compres..:

Borštnik, Urban ; VandeVondele, Joost ; Weber, Valéry.
Parallel Computing.  40 (2014)  5-6 - p. 47-58 , 2014
Link: https://doi.org/10.1016/..
 
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8

Conditional Solvation Thermodynamics of Isoleucine in Model..:

Tomar, Dheeraj S. ; Weber, Valéry ; Pettitt, B. Montgomery.
The Journal of Physical Chemistry B.  118 (2014)  15 - p. 4080-4087 , 2014
Link: https://doi.org/10.1021/..
 
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9

Regularizing Binding Energy Distributions and the Hydration..:

Weber, Valéry ; Asthagiri, D.
Journal of Chemical Theory and Computation.  8 (2012)  9 - p. 3409-3415 , 2012
Link: https://doi.org/10.1021/..
 
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10

Communication: Regularizing binding energy distributions an..:

Weber, Valéry ; Merchant, Safir ; Asthagiri, D.
The Journal of Chemical Physics.  135 (2011)  18 - p. , 2011
Link: https://doi.org/10.1063/..
 
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11

Wave function extended Lagrangian Born-Oppenheimer molecula..:

Steneteg, Peter ; Abrikosov, Igor A. ; Weber, Valery.
Physical Review B.  82 (2010)  7 - p. , 2010
Link: https://doi.org/10.1103/..
 
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12

Molecular packing and chemical association in liquid water ..:

Weber, Valéry ; Merchant, Safir ; Dixit, Purushottam D..
The Journal of Chemical Physics.  132 (2010)  20 - p. , 2010
Link: https://doi.org/10.1063/..
 
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13

Communication: Thermodynamics of water modeled using ab ini..:

Weber, Valéry ; Asthagiri, D.
The Journal of Chemical Physics.  133 (2010)  14 - p. , 2010
Link: https://doi.org/10.1063/..
 
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14

Magnetic linear response properties calculations with the G..:

Weber, Valéry ; Iannuzzi, Marcella ; Giani, Samuele...
The Journal of Chemical Physics.  131 (2009)  1 - p. , 2009
Link: https://doi.org/10.1063/..
 
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15

Extended Lagrangian Born–Oppenheimer molecular dynamics wit..:

Niklasson, Anders M. N. ; Steneteg, Peter ; Odell, Anders...
The Journal of Chemical Physics.  130 (2009)  21 - p. , 2009
Link: https://doi.org/10.1063/..
 
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