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Piquemal, Jean-Philip
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1

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/..
 
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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

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/..
 
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4

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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5

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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6

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/..
 
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7

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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8

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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9

Extension of the Trotterized Unitary Coupled Cluster to Tri..:

Haidar, Mohammad ; Rančić, Marko J. ; Maday, Yvon.
The Journal of Physical Chemistry A.  127 (2023)  15 - p. 3543-3550 , 2023
Link: https://doi.org/10.1021/..
 
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10

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/..
 
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11

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/..
 
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12

ANKH: A Generalized O(N) Interpolated Ewald Strategy for Mo..:

Chollet, Igor ; Lagardère, Louis ; Piquemal, Jean-Philip
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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13

Calculating the ground-state energy of benzene under spatia..:

Sennane, Wassil ; Piquemal, Jean-Philip ; Rančić, Marko J.
Physical Review A.  107 (2023)  1 - p. , 2023
Link: https://doi.org/10.1103/..
 
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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/..
 
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15

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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