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Journal Articles

Simulating anharmonic vibrational polaritons beyond the long wavelength approximation

Dipti Jasrasaria, Arkajit Mandal, David R. Reichman, Timothy C. Berkelbach
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 014109 (2025)
https://doi.org/10.1063/5.0235584
Published: January 2025
View articletitled, Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
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Journal Articles

Random organization and non-equilibrium hyperuniform fluids on a sphere

Yusheng Lei, Ning Zheng, Ran Ni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 081101 (2023)
https://doi.org/10.1063/5.0165527
Published: August 2023
View articletitled, Random organization and non-equilibrium hyperuniform fluids on a sphere
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Includes: Supplementary data
Journal Articles

A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations

Roman Ellerbrock, Hannes Hoppe, Uwe Manthe
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 244103 (2023)
https://doi.org/10.1063/5.0157810
Published: June 2023
View articletitled, A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations
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Journal Articles

Memory in the relaxation of a polymer density modulation

Editor’s Pick
Marcus Müller
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 124902 (2022)
https://doi.org/10.1063/5.0084602
Published: March 2022
View articletitled, Memory in the relaxation of a polymer density modulation
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Journal Articles

Active matter in infinite dimensions: Fokker–Planck equation and dynamical mean-field theory at low density

Thibaut Arnoulx de Pirey, Alessandro Manacorda, Frédéric van Wijland, Francesco Zamponi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 174106 (2021)
https://doi.org/10.1063/5.0065893
Published: November 2021
View articletitled, Active matter in infinite dimensions: Fokker–Planck equation and dynamical mean-field theory at low density
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Journal Articles

Numerical solution of the dynamical mean field theory of infinite-dimensional equilibrium liquids

Alessandro Manacorda, Grégory Schehr, Francesco Zamponi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 164506 (2020)
https://doi.org/10.1063/5.0007036
Published: April 2020
View articletitled, Numerical solution of the dynamical mean field theory of infinite-dimensional equilibrium liquids
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Journal Articles

ABINIT: Overview and focus on selected capabilities

Aldo H. Romero, Douglas C. Allan, Bernard Amadon, Gabriel Antonius, Thomas Applencourt, Lucas Baguet, Jordan Bieder, François Bottin, Johann Bouchet, Eric Bousquet, Fabien Bruneval, Guillaume Brunin, Damien Caliste, Michel Côté, Jules Denier, Cyrus Dreyer, Philippe Ghosez, Matteo Giantomassi, Yannick Gillet, Olivier Gingras, Donald R. Hamann, Geoffroy Hautier, François Jollet, Gérald Jomard, Alexandre Martin, Henrique P. C. Miranda, Francesco Naccarato, Guido Petretto, Nicholas A. Pike, Valentin Planes, Sergei Prokhorenko, Tonatiuh Rangel, Fabio Ricci, Gian-Marco Rignanese, Miquel Royo, Massimiliano Stengel, Marc Torrent, Michiel J. van Setten, Benoit Van Troeye, Matthieu J. Verstraete, Julia Wiktor, Josef W. Zwanziger, Xavier Gonze
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 124102 (2020)
https://doi.org/10.1063/1.5144261
Published: March 2020
View articletitled, ABINIT: Overview and focus on selected capabilities
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Journal Articles

Dynamical self-consistent field theory captures multi-scale physics during spinodal decomposition in a symmetric binary homopolymer blend

Douglas J. Grzetic, Robert A. Wickham
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 104903 (2020)
https://doi.org/10.1063/1.5142179
Published: March 2020
View articletitled, Dynamical self-consistent field theory captures multi-scale physics during spinodal decomposition in a symmetric binary homopolymer blend
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Journal Articles

Quantum impurity models coupled to Markovian and non-Markovian baths

Marco Schiro, Orazio Scarlatella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 044102 (2019)
https://doi.org/10.1063/1.5100157
Published: July 2019
View articletitled, Quantum impurity models coupled to Markovian and non-Markovian baths
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Includes: Supplementary data
Journal Articles

Energy-weighted density matrix embedding of open correlated chemical fragments

Edoardo Fertitta, George H. Booth
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 014115 (2019)
https://doi.org/10.1063/1.5100290
Published: July 2019
View articletitled, Energy-weighted density matrix embedding of open correlated chemical fragments
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Journal Articles

Dealing with the exponential wall in electronic structure calculations

Peter Fulde, Hermann Stoll
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 194107 (2017)
https://doi.org/10.1063/1.4983207
Published: May 2017
View articletitled, Dealing with the exponential wall in electronic structure calculations
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Journal Articles

The transition to the metallic state in low density hydrogen

Jeremy McMinis, Miguel A. Morales, David M. Ceperley, Jeongnim Kim
Journal: The Journal of Chemical Physics
J. Chem. Phys. 143, 194703 (2015)
https://doi.org/10.1063/1.4935808
Published: November 2015
View articletitled, The transition to the metallic state in low density hydrogen
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Journal Articles

Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles

Thomas Speck, Andreas M. Menzel, Julian Bialké, Hartmut Löwen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 142, 224109 (2015)
https://doi.org/10.1063/1.4922324
Published: June 2015
View articletitled, Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles
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Journal Articles

Dynamical mean-field theory for molecules and nanostructures

Volodymyr Turkowski, Alamgir Kabir, Neha Nayyar, Talat S. Rahman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 136, 114108 (2012)
https://doi.org/10.1063/1.3692613
Published: March 2012
View articletitled, Dynamical mean-field theory for molecules and nanostructures
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Journal Articles

Dynamical mean-field theory from a quantum chemical perspective

Dominika Zgid, Garnet Kin-Lic Chan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 134, 094115 (2011)
https://doi.org/10.1063/1.3556707
Published: March 2011
View articletitled, Dynamical mean-field theory from a quantum chemical perspective
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Includes: Supplementary data
Journal Articles

Effects of the DNA state fluctuation on single-cell dynamics of self-regulating gene

Yurie Okabe, Yuu Yagi, Masaki Sasai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 127, 105107 (2007)
https://doi.org/10.1063/1.2768353
Published: September 2007
View articletitled, Effects of the DNA state fluctuation on single-cell dynamics of self-regulating gene
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