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Journal Articles

Channel-facilitated transport under resetting dynamics

Suvam Pal, Denis Boyer, Leonardo Dagdug, Arnab Pal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 144114 (2024)
https://doi.org/10.1063/5.0231306
Published: October 2024
View article titled, Channel-facilitated transport under resetting dynamics
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Journal Articles

Tutorial on the stochastic simulation of dissipative quantum oscillators

C. R. Hogg, J. Glatthard, F. Cerisola, J. Anders
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 071501 (2024)
https://doi.org/10.1063/5.0222528
Published: August 2024
View article titled, Tutorial on the stochastic simulation of dissipative quantum oscillators
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Journal Articles

Quantum decoherence dynamics in stochastically fluctuating environments

Xiangji Cai, Yanyan Feng, Jing Ren, Yonggang Peng, Yujun Zheng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 044106 (2024)
https://doi.org/10.1063/5.0217863
Published: July 2024
View article titled, Quantum decoherence dynamics in stochastically fluctuating environments
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Journal Articles

A population balance model for the kinetics of covalent organic framework synthesis

Howard Weatherspoon, Baron Peters
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 164313 (2024)
https://doi.org/10.1063/5.0197656
Published: April 2024
View article titled, A population balance model for the kinetics of covalent organic framework synthesis
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Journal Articles

Nuclear induction line shape: Non-Markovian diffusion with boundaries

Mohamad Niknam, Louis-S. Bouchard
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 024305 (2024)
https://doi.org/10.1063/5.0179178
Published: January 2024
View article titled, Nuclear induction line shape: Non-Markovian diffusion with boundaries
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Journal Articles

Different glassy characteristics are related to either caging or dynamical heterogeneity

Puneet Pareek, Monoj Adhikari, Chandan Dasgupta, Saroj Kumar Nandi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 174503 (2023)
https://doi.org/10.1063/5.0166404
Published: November 2023
View article titled, Different glassy characteristics are related to either caging or dynamical heterogeneity
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Journal Articles

Structural properties of hard-disk fluids under single-file confinement

Ana M. Montero, Andrés Santos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 034503 (2023)
https://doi.org/10.1063/5.0156228
Published: July 2023
View article titled, Structural properties of hard-disk fluids under single-file confinement
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Journal Articles

Diffusion within pores fully revealed by magnetic resonance

Evren Özarslan, Cem Yolcu, Alfredo Ordinola, Deneb Boito, Tom Dela Haije, Mathias Højgaard Jensen, Magnus Herberthson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 161102 (2023)
https://doi.org/10.1063/5.0146304
Published: April 2023
View article titled, Diffusion within pores fully revealed by magnetic resonance
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Includes: Supplementary data
Journal Articles

Fick–Jacobs description and first passage dynamics for diffusion in a channel under stochastic resetting

Siddharth Jain, Denis Boyer, Arnab Pal, Leonardo Dagdug
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 054113 (2023)
https://doi.org/10.1063/5.0135249
Published: February 2023
View article titled, Fick–Jacobs description and first passage dynamics for diffusion in a channel under stochastic resetting
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Journal Articles

Relative energies without electronic perturbations via alchemical integral transform

Simon León Krug, Guido Falk von Rudorff, O. Anatole von Lilienfeld
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 164109 (2022)
https://doi.org/10.1063/5.0111511
Published: October 2022
View article titled, Relative energies without electronic perturbations via alchemical integral transform
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Includes: Supplementary data
Journal Articles

Quasi-analytical resolution-correction of elastic neutron scattering from proteins

Abir N. Hassani, Andreas M. Stadler, Gerald R. Kneller
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 134103 (2022)
https://doi.org/10.1063/5.0103960
Published: October 2022
View article titled, Quasi-analytical resolution-correction of elastic neutron scattering from proteins
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Journal Articles

Enhancing search efficiency through diffusive echo

Charles Antoine, Julian Talbot
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 114110 (2022)
https://doi.org/10.1063/5.0116101
Published: September 2022
View article titled, Enhancing search efficiency through diffusive echo
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Journal Articles

Tomographic reconstruction techniques optimized for velocity-map imaging applications

Chris Sparling, Dave Townsend
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 114201 (2022)
https://doi.org/10.1063/5.0101789
Published: September 2022
View article titled, Tomographic reconstruction techniques optimized for velocity-map imaging applications
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Journal Articles

Interferometry of quantum revivals

J. Tarrant, M. Khokhlova, V. Averbukh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 054304 (2022)
https://doi.org/10.1063/5.0098056
Published: August 2022
View article titled, Interferometry of quantum revivals
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Journal Articles

A multiscale time-Laplace method to extract relaxation times from non-stationary dynamic light scattering signals

François. Liénard, Éric. Freyssingeas, Pierre. Borgnat
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 224901 (2022)
https://doi.org/10.1063/5.0088005
Published: June 2022
View article titled, A multiscale time-Laplace method to extract relaxation times from non-stationary dynamic light scattering signals
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Journal Articles

Delayed elastic contributions to the viscoelastic response of foams

François A. Lavergne, Peter Sollich, Véronique Trappe
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 154901 (2022)
https://doi.org/10.1063/5.0085773
Published: April 2022
View article titled, Delayed elastic contributions to the viscoelastic response of foams
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Includes: Supplementary data
Journal Articles

Kinetic specific features of singlet fission in highly anisotropic organic semiconductors

A. I. Shushin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 074703 (2022)
https://doi.org/10.1063/5.0078158
Published: February 2022
View article titled, Kinetic specific features of singlet fission in highly anisotropic organic semiconductors
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Journal Articles

Gas of sub-recoiled laser cooled atoms described by infinite ergodic theory

Eli Barkai, Günter Radons, Takuma Akimoto
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 044118 (2022)
https://doi.org/10.1063/5.0076552
Published: January 2022
View article titled, Gas of sub-recoiled laser cooled atoms described by infinite ergodic theory
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Journal Articles

Gated reactions in discrete time and space

Yuval Scher, Shlomi Reuveni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 234112 (2021)
https://doi.org/10.1063/5.0072393
Published: December 2021
View article titled, Gated reactions in discrete time and space
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Journal Articles

Efficient low-scaling computation of NMR shieldings at the second-order Møller–Plesset perturbation theory level with Cholesky-decomposed densities and an attenuated Coulomb metric

Michael Glasbrenner, Sigurd Vogler, Christian Ochsenfeld
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 224107 (2021)
https://doi.org/10.1063/5.0069956
Published: December 2021
View article titled, Efficient low-scaling computation of NMR shieldings at the second-order Møller–Plesset perturbation theory level with Cholesky-decomposed densities and an attenuated Coulomb metric
Open the PDF for Efficient low-scaling computation of NMR shieldings at the second-order Møller–Plesset perturbation theory level with Cholesky-decomposed densities and an attenuated Coulomb metric in another window
Includes: Supplementary data