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The Journal of Physical Chemistry. B
|
October 21, 2022
Improving Condensed-Phase Water Dynamics with Explicit Nuclear Quantum Effects: The Polarizable Q-AMOEBA Force Field
Nastasia Mauger, Thomas Plé, Louis Lagardère, et al.
The Journal of Physical Chemistry Letters
|
June 2, 2025
The Q-AMOEBA (CF) Polarizable Potential
Nastasia Mauger, Thomas Plé, Louis Lagardère, et al.
Physical Review Letters
|
October 6, 2023
When Quantum Fluctuations Meet Structural Instabilities: The Isotope- and Pressure-Induced Phase Transition in the Quantum Paraelectric NaOH
Sofiane Schaack, Etienne Mangaud, Erika Fallacara, et al.
Physical Review Letters
|
November 16, 2020
Semiconductor Quantum Plasmonics
Angela Vasanelli, Simon Huppert, Andrew Haky, et al.
Journal of Chemical Theory and Computation
|
April 3, 2019
The Fluctuation-Dissipation Theorem as a Diagnosis and Cure for Zero-Point Energy Leakage in Quantum Thermal Bath Simulations
Etienne Mangaud, Simon Huppert, Thomas Plé, et al.
The Journal of Chemical Physics
|
November 13, 2025
Probing the partition function for temperature-dependent potentials with nested sampling
Lune Maillard, Philippe Depondt, Fabio Finocchi, et al.
The Journal of Physical Chemistry Letters
|
August 24, 2021
Nuclear Quantum Effects in Liquid Water at Near Classical Computational Cost Using the Adaptive Quantum Thermal Bath
Nastasia Mauger, Thomas Plé, Louis Lagardère, et al.
Journal of Chemical Theory and Computation
|
March 1, 2023
Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials
Thomas Plé, Nastasia Mauger, Olivier Adjoua, et al.
Physical Review Letters
|
September 20, 2024
Orientational Disorder Drives Site Disorder in Plastic Ammonia Hemihydrate
Niccolò Avallone, Simon Huppert, Philippe Depondt, et al.
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Search research articles
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Showing results (11-20 of 19) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 19 results.
The Journal of Physical Chemistry. B
|
October 21, 2022
Improving Condensed-Phase Water Dynamics with Explicit Nuclear Quantum Effects: The Polarizable Q-AMOEBA Force Field
Nastasia Mauger, Thomas Plé, Louis Lagardère, et al.
The Journal of Physical Chemistry Letters
|
June 2, 2025
The Q-AMOEBA (CF) Polarizable Potential
Nastasia Mauger, Thomas Plé, Louis Lagardère, et al.
Physical Review Letters
|
October 6, 2023
When Quantum Fluctuations Meet Structural Instabilities: The Isotope- and Pressure-Induced Phase Transition in the Quantum Paraelectric NaOH
Sofiane Schaack, Etienne Mangaud, Erika Fallacara, et al.
Physical Review Letters
|
November 16, 2020
Semiconductor Quantum Plasmonics
Angela Vasanelli, Simon Huppert, Andrew Haky, et al.
Journal of Chemical Theory and Computation
|
April 3, 2019
The Fluctuation-Dissipation Theorem as a Diagnosis and Cure for Zero-Point Energy Leakage in Quantum Thermal Bath Simulations
Etienne Mangaud, Simon Huppert, Thomas Plé, et al.
The Journal of Chemical Physics
|
November 13, 2025
Probing the partition function for temperature-dependent potentials with nested sampling
Lune Maillard, Philippe Depondt, Fabio Finocchi, et al.
The Journal of Physical Chemistry Letters
|
August 24, 2021
Nuclear Quantum Effects in Liquid Water at Near Classical Computational Cost Using the Adaptive Quantum Thermal Bath
Nastasia Mauger, Thomas Plé, Louis Lagardère, et al.
Journal of Chemical Theory and Computation
|
March 1, 2023
Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials
Thomas Plé, Nastasia Mauger, Olivier Adjoua, et al.
Physical Review Letters
|
September 20, 2024
Orientational Disorder Drives Site Disorder in Plastic Ammonia Hemihydrate
Niccolò Avallone, Simon Huppert, Philippe Depondt, et al.
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of 2