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Evaluating multi-state free energy profiles from splitting probability
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 055102 (2025)
Published: February 2025
Journal Articles
Mpemba effect in the relaxation of an active Brownian particle in a trap without metastable states
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 034115 (2025)
Published: January 2025
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Double Mpemba effect in the cooling of trapped colloids
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 164903 (2024)
Published: October 2024
Journal Articles
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 114104 (2024)
Published: September 2024
Journal Articles
Journal Articles
A note on vibrational perturbation theory for tunneling splitting in a symmetric double well potential
Open Access
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 036101 (2024)
Published: July 2024
Journal Articles
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 159, 164308 (2023)
Published: October 2023
Includes: Supplementary data
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A fresh look at the vibrational and thermodynamic properties of liquids within the soft potential model
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 159, 154501 (2023)
Published: October 2023
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Accurate generation of stochastic dynamics based on multi-model generative adversarial networks
Open Access
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 159, 144109 (2023)
Published: October 2023
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Regular reaction dynamics in analytical form in the vicinity of symmetrical transition states. Central barrier crossings in SN2 reactions
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 159, 094302 (2023)
Published: September 2023
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Journal Articles
Solving the Wigner equation for chemically relevant scenarios: Dynamics in 2D
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 158, 114111 (2023)
Published: March 2023
Includes: Supplementary data
Journal Articles
Internal conversion rates from the extended thawed Gaussian approximation: Theory and validation
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 158, 034105 (2023)
Published: January 2023
Journal Articles
Felix C. Mocanu, Ludovic Berthier, Simone Ciarella, Dmytro Khomenko, David R. Reichman, Camille Scalliet, Francesco Zamponi
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 158, 014501 (2023)
Published: January 2023
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Theoretical study on L–H+–L with identical donors: Short strong hydrogen bond or not?
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 157, 094302 (2022)
Published: September 2022
Includes: Supplementary data
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Assessing models of force-dependent unbinding rates via infrequent metadynamics
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 156, 125102 (2022)
Published: March 2022
Includes: Supplementary data
Journal Articles
Analytical gradients for nuclear–electronic orbital multistate density functional theory: Geometry optimizations and reaction paths
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 156, 114115 (2022)
Published: March 2022
Includes: Supplementary data
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Correlated escape of active particles across a potential barrier
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 155, 234902 (2021)
Published: December 2021
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