E-LIB Suche - Ergebnisse für: Adjoua, Olivier

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/..

2

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/..

3

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/..

4

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/..

5

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/..

6

Accurate Deep Learning-Aided Density-Free Strategy for Many..:

Poier, Pier Paolo ; Jaffrelot Inizan, Théo ; Adjoua, Olivier..
The Journal of Physical Chemistry Letters. 13 (2022) 19 - p. 4381-4388 , 2022

Link: https://doi.org/10.1021/..

7

An Efficient Gaussian-Accelerated Molecular Dynamics (GaMD)..:

Célerse, Frédéric ; Inizan, Théo Jaffrelot ; Lagardère, Louis...
Journal of Chemical Theory and Computation. 18 (2022) 2 - p. 968-977 , 2022

Link: https://doi.org/10.1021/..

8

Interfacial Water Many-Body Effects Drive Structural Dynami..:

El Ahdab, Dina ; Lagardère, Louis ; Inizan, Théo Jaffrelot...
The Journal of Physical Chemistry Letters. 12 (2021) 26 - p. 6218-6226 , 2021

Link: https://doi.org/10.1021/..

9

High-resolution mining of the SARS-CoV-2 main protease conf..:

Jaffrelot Inizan, Théo ; Célerse, Frédéric ; Adjoua, Olivier...
Chemical Science. 12 (2021) 13 - p. 4889-4907 , 2021

Link: https://doi.org/10.1039/..

10

Tinker-HP: Accelerating Molecular Dynamics Simulations of L..:

Adjoua, Olivier ; Lagardère, Louis ; Jolly, Luc-Henri...
Journal of Chemical Theory and Computation. 17 (2021) 4 - p. 2034-2053 , 2021

Link: https://doi.org/10.1021/..

11

Atomistic Polarizable Embeddings: Energy, Dynamics, Spectro..:

Loco, Daniele ; Lagardère, Louis ; Adjoua, Olivier.
Accounts of Chemical Research. 54 (2021) 13 - p. 2812-2822 , 2021

Link: https://doi.org/10.1021/..

12

Reduced‐order modeling of hemodynamics across macroscopic t..:

Adjoua, Olivier ; Pitre‐Champagnat, Stéphanie ; Lucor, Didier
International Journal for Numerical Methods in Biomedical Engineering. 35 (2019) 12 - p. , 2019

Link: https://doi.org/10.1002/..

13

Plasticization of Polylactide with Myrcene and Limonene as ..:

Brüster, Berit ; Adjoua, Yann-Olivier ; Dieden, Reiner...
Polymers. 11 (2019) 8 - p. 1363 , 2019

Link: https://doi.org/10.3390/..

14

Generalized Many-Body Dispersion Correction through Random-..:

Poier, Pier Paolo ; Adjoua, Olivier ; Lagardère, Louis.
info:eu-repo/semantics/altIdentifier/arxiv/2210.09784. , 2023

Link: https://hal.science/hal-..

15

Scalable hybrid deep neural networks/polarizable potentials..:

Jaffrelot Inizan, Théo ; Plé, Thomas ; Adjoua, Olivier...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10208042/. , 2023

Link: http://www.ncbi.nlm.nih...