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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

Tutorial on how to build non-Markovian dynamic models from molecular dynamics simulations for studying protein conformational changes

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Yue Wu, Siqin Cao, Yunrui Qiu, Xuhui Huang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 121501 (2024)
https://doi.org/10.1063/5.0189429
Published: March 2024
View article titled, Tutorial on how to build non-Markovian dynamic models from molecular dynamics simulations for studying protein conformational changes
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Journal Articles

How to extract kinetic information from Tafel analysis in electrocatalysis

Weixing Wu, Qian Lu, Guangchao Li, Ying Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 221501 (2023)
https://doi.org/10.1063/5.0175156
Published: December 2023
View article titled, How to extract kinetic information from Tafel analysis in electrocatalysis
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Journal Articles

How to train a neural network potential

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Alea Miako Tokita, Jörg Behler
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 121501 (2023)
https://doi.org/10.1063/5.0160326
Published: September 2023
View article titled, How to train a neural network potential
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Includes: Supplementary data
Journal Articles

Determining best practices for using genetic algorithms in molecular discovery

Brianna L. Greenstein, Danielle C. Elsey, Geoffrey R. Hutchison
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 091501 (2023)
https://doi.org/10.1063/5.0158053
Published: September 2023
View article titled, Determining best practices for using genetic algorithms in molecular discovery
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Includes: Supplementary data
Journal Articles

How to validate machine-learned interatomic potentials

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Joe D. Morrow, John L. A. Gardner, Volker L. Deringer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 121501 (2023)
https://doi.org/10.1063/5.0139611
Published: March 2023
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Journal Articles

Unraveling multi-state molecular dynamics in single-molecule FRET experiments. II. Quantitative analysis of multi-state kinetic networks

Editor’s Pick
Oleg Opanasyuk, Anders Barth, Thomas-Otavio Peulen, Suren Felekyan, Stanislav Kalinin, Hugo Sanabria, Claus A. M. Seidel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 031501 (2022)
https://doi.org/10.1063/5.0095754
Published: July 2022
View article titled, Unraveling multi-state molecular dynamics in single-molecule FRET experiments. II. Quantitative analysis of multi-state kinetic networks
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Includes: Supplementary data
Journal Articles

Unraveling multi-state molecular dynamics in single-molecule FRET experiments. I. Theory of FRET-lines

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Anders Barth, Oleg Opanasyuk, Thomas-Otavio Peulen, Suren Felekyan, Stanislav Kalinin, Hugo Sanabria, Claus A. M. Seidel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 141501 (2022)
https://doi.org/10.1063/5.0089134
Published: April 2022
View article titled, Unraveling multi-state molecular dynamics in single-molecule FRET experiments. I. Theory of FRET-lines
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Includes: Supplementary data
Journal Articles

Entangled two-photon absorption by atoms and molecules: A quantum optics tutorial

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Michael G. Raymer, Tiemo Landes, Andrew H. Marcus
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 081501 (2021)
https://doi.org/10.1063/5.0049338
Published: August 2021
View article titled, Entangled two-photon absorption by atoms and molecules: A quantum optics tutorial
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