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Can intramolecular rotors govern the thermal conductivity of molecular materials?
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 234702 (2025)
Published: June 2025
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Phase diagrams for organic/metal interfaces: Significance of configurational and vibrational energies
Open Access
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 204705 (2025)
Published: May 2025
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Landau–Zener transitions with spin flipping in chiral structures
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 204303 (2025)
Published: May 2025
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Triply bonded C≡C characteristics between planar hypercoordinate carbons in a two-dimensional Be4C3 monolayer
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 194710 (2025)
Published: May 2025
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Femtosecond laser-induced diffusion and desorption of CO adsorbed on a weak electron–phonon coupling surface: Cu(110)
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 174701 (2025)
Published: May 2025
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Journal Articles
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Exploring superconductivity under strong coupling with the vacuum electromagnetic field
A. Thomas, E. Devaux, K. Nagarajan, T. Chervy, M. Seidel, G. Rogez, J. Robert, M. Drillon, T. T. Ruan, S. Schlittenhardt, M. Ruben, D. Hagenmüller, S. Schütz, J. Schachenmayer, C. Genet, G. Pupillo, T. W. Ebbesen
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The Journal of Chemical Physics
J. Chem. Phys. 162, 134701 (2025)
Published: April 2025
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Trajectory-based non-adiabatic simulations of the polariton relaxation dynamics
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The Journal of Chemical Physics
J. Chem. Phys. 162, 124113 (2025)
Published: March 2025
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Revisiting the question of what instantaneous normal modes tell us about liquid dynamics
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The Journal of Chemical Physics
J. Chem. Phys. 162, 114503 (2025)
Published: March 2025
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Structures and properties of Ca–Xe compounds at extreme pressure and temperature
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 104502 (2025)
Published: March 2025
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Journal Articles
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Polariton spectra under the collective coupling regime. II. 2D non-linear spectra
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 074110 (2025)
Published: February 2025
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Low-frequency Raman signatures of transient polyamorphic situation in linezolid: A competition between conformational polymorphs
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 074501 (2025)
Published: February 2025
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Journal Articles
Highly efficient path-integral molecular dynamics simulations with GPUMD using neuroevolution potentials: Case studies on thermal properties of materials
Available to PurchasePenghua Ying, Wenjiang Zhou, Lucas Svensson, Esmée Berger, Erik Fransson, Fredrik Eriksson, Ke Xu, Ting Liang, Jianbin Xu, Bai Song, Shunda Chen, Paul Erhart, Zheyong Fan
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 064109 (2025)
Published: February 2025
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Combined molecular and spin dynamics simulation of BCC iron with vacancy defects
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 054114 (2025)
Published: February 2025
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How to correct Ehrenfest nonadiabatic dynamics in open quantum systems: Ehrenfest plus random force (E + σ) dynamics
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The Journal of Chemical Physics
J. Chem. Phys. 162, 044104 (2025)
Published: January 2025
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Polariton spectra under the collective coupling regime. I. Efficient simulation of linear spectra and quantum dynamics
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 014114 (2025)
Published: January 2025
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