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Piquemal, Jean-Philip
211
results:
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english (205)
german (1)
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1
Lambda-ABF: Simplified, Portable, Accurate, and Cost-Effect..:
Lagardère, Louis
;
Maurin, Lise
;
Adjoua, Olivier
...
Journal of Chemical Theory and Computation. 20 (2024) 11 - p. 4481-4498 , 2024
Link:
https://doi.org/10.1021/..
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2
Incorporating Neural Networks into the AMOEBA Polarizable F..:
Wang, Yanxing
;
Inizan, Théo Jaffrelot
;
Liu, Chengwen
..
The Journal of Physical Chemistry B. 128 (2024) 10 - p. 2381-2388 , 2024
Link:
https://doi.org/10.1021/..
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3
Advancing Force Fields Parameterization: A Directed Graph A..:
Chen, Gong
;
Jaffrelot Inizan, Théo
;
Plé, Thomas
...
Journal of Chemical Theory and Computation. 20 (2024) 13 - p. 5558-5569 , 2024
Link:
https://doi.org/10.1021/..
?
4
FeNNol: An efficient and flexible library for building forc..:
Plé, Thomas
;
Adjoua, Olivier
;
Lagardère, Louis
.
The Journal of Chemical Physics. 161 (2024) 4 - p. , 2024
Link:
https://doi.org/10.1063/..
?
5
Sparse Quantum State Preparation for Strongly Correlated Sy..:
Feniou, César
;
Adjoua, Olivier
;
Claudon, Baptiste
...
The Journal of Physical Chemistry Letters. 15 (2024) 11 - p. 3197-3205 , 2024
Link:
https://doi.org/10.1021/..
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6
Unveiling the Full Dynamical and Reactivity Profiles of Ace..:
Célerse, Frédéric
;
Lagardère, Louis
;
Bouchibti, Yasmine
...
ACS Catalysis. 14 (2024) 3 - p. 1785-1796 , 2024
Link:
https://doi.org/10.1021/..
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7
Binding free-energy calculation tools: Towards maturity?:
Lagardère, Louis
;
Santiago-McRae, Ezry
;
Santuz, Hubert
...
Biophysical Journal. 123 (2024) 3 - p. 424a , 2024
Link:
https://doi.org/10.1016/..
?
8
Force Field X: A computational microscope to study genetic ..:
Gogal, Rose A.
;
Nessler, Aaron J.
;
Thiel, Andrew C.
...
The Journal of Chemical Physics. 161 (2024) 1 - p. , 2024
Link:
https://doi.org/10.1063/..
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9
Polylogarithmic-depth controlled-NOT gates without ancilla ..:
Claudon, Baptiste
;
Zylberman, Julien
;
Feniou, César
...
Nature Communications. 15 (2024) 1 - p. , 2024
Link:
https://doi.org/10.1038/..
?
10
Overlap-ADAPT-VQE: practical quantum chemistry on quantum c..:
Feniou, César
;
Hassan, Muhammad
;
Traoré, Diata
...
Communications Physics. 6 (2023) 1 - p. , 2023
Link:
https://doi.org/10.1038/..
?
11
Force-field-enhanced neural network interactions: from loca..:
Plé, Thomas
;
Lagardère, Louis
;
Piquemal, Jean-Philip
Chemical Science. 14 (2023) 44 - p. 12554-12569 , 2023
Link:
https://doi.org/10.1039/..
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12
Generalized Many-Body Dispersion Correction through Random-..:
Poier, Pier Paolo
;
Adjoua, Olivier
;
Lagardère, Louis
.
The Journal of Physical Chemistry Letters. 14 (2023) 6 - p. 1609-1617 , 2023
Link:
https://doi.org/10.1021/..
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13
Smooth particle mesh Ewald-integrated stochastic Lanczos ma..:
Poier, Pier Paolo
;
Lagardère, Louis
;
Piquemal, Jean-Philip
The Journal of Chemical Physics. 159 (2023) 15 - p. , 2023
Link:
https://doi.org/10.1063/..
?
14
Scalable hybrid deep neural networks/polarizable potentials..:
Jaffrelot Inizan, Théo
;
Plé, Thomas
;
Adjoua, Olivier
...
Chemical Science. 14 (2023) 20 - p. 5438-5452 , 2023
Link:
https://doi.org/10.1039/..
?
15
Routine Molecular Dynamics Simulations Including Nuclear Qu..:
Plé, Thomas
;
Mauger, Nastasia
;
Adjoua, Olivier
...
Journal of Chemical Theory and Computation. , 2023
Link:
https://doi.org/10.1021/..
1-15