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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
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
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
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
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
10.1063/5.0027994
PERSPECTIVES
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Combining the best of two worlds: Stimulated Raman excited fluorescence
Hanqing Xiong; Wei Min
10.1063/5.0030204
EDITORIALS
Reflections on electron transfer theory
Rudolph A. Marcus
10.1063/5.0035434
Notes
Simple argument for emergent anisotropic stress correlations in disordered solids
Edan Lerner
10.1063/5.0034728
COMMUNICATIONS
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Quantum simulations employing connected moments expansions
Karol Kowalski; Bo Peng
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
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
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
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
10.1063/5.0021631
COMMUNICATIONS
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Measuring pressure in equilibrium and nonequilibrium lattice-gas models
Mauro Sellitto
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
10.1063/5.0025787
COMMUNICATIONS
Origin invariant optical rotation in the length dipole gauge without London atomic orbitals
Marco Caricato
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
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
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
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
10.1063/5.0021955

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