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JCP Editors' Choice 2020

The Editors of The Journal of Chemical Physics facilitate publication of the most innovative and influential articles in chemical physics and physical chemistry each year. In this collection, the Editors have selected a few of the many notable JCP articles of 2020 that present significant and definitive research in experimental and theoretical areas of the field. These articles are freely available online until the end of 2021.

Biological Molecules and Networks
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Intraband dynamics and exciton trapping in the LH2 complex of Rhodopseudomonas acidophila
Erling Thyrhaug; Marco Schröter; Eglė Bukartė; Oliver Kühn; Richard Cogdell; Jürgen Hauer; Donatas Zigmantas
https://doi.org/10.1063/5.0033802
Atoms, Molecules, and Clusters
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Directing excited state dynamics via chemical substitution: A systematic study of π -donors and π -acceptors at a carbon–carbon double bond
Katherine R. Herperger; Anja Röder; Ryan J. MacDonell; Andrey E. Boguslavskiy; Anders B. Skov; Albert Stolow; Michael S. Schuurman
https://doi.org/10.1063/5.0031689
Advanced Experimental Techniques
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Probing the deformation of [12]cycloparaphenylene molecular nanohoops adsorbed on metal surfaces by tip-enhanced Raman spectroscopy
Hang Li; Yu-Fan Zhang; Xian-Biao Zhang; Aftab Farrukh; Yang Zhang; Yao Zhang; Zhen-Chao Dong
https://doi.org/10.1063/5.0033383
Theoretical Methods and Algorithms
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Confronting pitfalls of AI-augmented molecular dynamics using statistical physics
Shashank Pant; Zachary Smith; Yihang Wang; Emad Tajkhorshid; Pratyush Tiwary
https://doi.org/10.1063/5.0030931
Biological Molecules and Networks
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Normal mode analysis of spectral density of FMO trimers: Intra- and intermonomer energy transfer
Alexander Klinger; Dominik Lindorfer; Frank Müh; Thomas Renger
https://doi.org/10.1063/5.0027994
PERSPECTIVES
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Combining the best of two worlds: Stimulated Raman excited fluorescence
Hanqing Xiong; Wei Min
https://doi.org/10.1063/5.0030204
EDITORIALS
Reflections on electron transfer theory
Rudolph A. Marcus
https://doi.org/10.1063/5.0035434
Notes
Simple argument for emergent anisotropic stress correlations in disordered solids
Edan Lerner
https://doi.org/10.1063/5.0034728
COMMUNICATIONS
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Quantum simulations employing connected moments expansions
Karol Kowalski; Bo Peng
https://doi.org/10.1063/5.0030688
Liquids, Glasses, and Crystals
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Determining the radial distribution function of water using electron scattering: A key to solution phase chemistry
M. B. de Kock; S. Azim; G. H. Kassier; R. J. D. Miller
https://doi.org/10.1063/5.0024127
Liquids, Glasses, and Crystals
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Tuning the dynamics of imidazolium-based ionic liquids via hydrogen bonding. I. The viscous regime
C. A. Thomann; P. Münzner; K. Moch; J. Jacquemin; P. Goodrich; A. P. Sokolov; R. Böhmer; C. Gainaru
https://doi.org/10.1063/5.0026144
Polymers and Soft Matter
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Conformation and dynamics of ring polymers under symmetric thin film confinement
Tianren Zhang; Karen I. Winey; Robert A. Riggleman
https://doi.org/10.1063/5.0024729
Theoretical Methods and Algorithms
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Computationally efficient approach for the identification of ice-binding surfaces and how they bind ice
Pavithra M. Naullage; Atanu K. Metya; Valeria Molinero
https://doi.org/10.1063/5.0021631
COMMUNICATIONS
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Measuring pressure in equilibrium and nonequilibrium lattice-gas models
Mauro Sellitto
https://doi.org/10.1063/5.0028823
Materials, Surfaces, and Interfaces
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A closer look into the distance dependence of vibrational energy transfer on surfaces using 2D IR spectroscopy
Ricardo Fernández-Terán; Peter Hamm
https://doi.org/10.1063/5.0025787
COMMUNICATIONS
Origin invariant optical rotation in the length dipole gauge without London atomic orbitals
Marco Caricato
https://doi.org/10.1063/5.0028849
PERSPECTIVES
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Use the force! Reduced variance estimators for densities, radial distribution functions, and local mobilities in molecular simulations
Benjamin Rotenberg
https://doi.org/10.1063/5.0029113
Theoretical Methods and Algorithms
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Theory and implementation of a novel stochastic approach to coupled cluster
Charles J. C. Scott; Roberto Di Remigio; T. Daniel Crawford; Alex J. W. Thom
https://doi.org/10.1063/5.0026513
Atoms, Molecules, and Clusters
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Unraveling intra-aggregate structural disorder using single-molecule spectroscopy
T. Kunsel; A. Löhner; J. J. Mayo; J. Köhler; T. L. C. Jansen; J. Knoester
https://doi.org/10.1063/5.0023551
Theoretical Methods and Algorithms
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OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features
Zhuoran Qiao; Matthew Welborn; Animashree Anandkumar; Frederick R. Manby; Thomas F. Miller, III
https://doi.org/10.1063/5.0021955
  • Online ISSN 1089-7690
  • Print ISSN 0021-9606

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