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JCP Editors’ Choice 2023

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 2023 that present significant and definitive research in experimental and theoretical areas of the field. These articles are freely available online until the end of 2024.

Liquids, Glasses, and Crystals

Enantioselective control in chiral crystallization of ethylenediamine sulfate using optical trapping with circularly polarized laser beams

Teruki Sugiyama; Tung-Ming Lin; Hao-Tse Su; An-Chieh Cheng; Keiji Sasaki

https://doi.org/10.1063/5.0186018

PERSPECTIVES

Excitons in metal-halide perovskites from first-principles many-body perturbation theory

Linn Leppert

https://doi.org/10.1063/5.0187213

Theoretical Methods and Algorithms

Charging and discharging a supercapacitor in molecular simulations

Ranisha S. Sitlapersad; Anthony R. Thornton; Wouter K. den Otter

https://doi.org/10.1063/5.0177103

Theoretical Methods and Algorithms

Performance of periodic EOM-CCSD for bandgaps of inorganic semiconductors and insulators

Ethan A. Vo; Xiao Wang; Timothy C. Berkelbach

https://doi.org/10.1063/5.0187856

COMMUNICATIONS

Direct measurement of built-in electric field inside a 2D cavity

Li Li; Jinyang Ling; Dongxu Zhang; Nanyang Wang; Jiamin Lin; Zhonghua Xi; Weigao Xu

https://doi.org/10.1063/5.0180444

PERSPECTIVES

Quantum computing for chemistry and physics applications from a Monte Carlo perspective

Guglielmo Mazzola

https://doi.org/10.1063/5.0173591

Advanced Experimental Techniques

Rapid scan white light two-dimensional electronic spectroscopy with 100 kHz shot-to-shot detection

Asha S. Thomas; Vivek N. Bhat; Vivek Tiwari

https://doi.org/10.1063/5.0179474

Liquids, Glasses, and Crystals

Reactivity of radiolytically and photochemically generated tertiary amine radicals towards a CO₂ reduction catalyst

Cody R. Carr; Michael A. Vrionides; David C. Grills

https://doi.org/10.1063/5.0180065

Liquids, Glasses, and Crystals

Mode-coupling theory of lattice dynamics for classical and quantum crystals

Aloïs Castellano; J. P. Alvarinhas Batista; Matthieu J. Verstraete

https://doi.org/10.1063/5.0174255

Liquids, Glasses, and Crystals

Large-scale molecular dynamics simulations of bubble collapse in water: Effects of system size, water model, and nitrogen

Jingyi L. Chen; Jesse L. Prelesnik; Buyun Liang; Yangzesheng Sun; Mrugank Bhatt; Christopher Knight; Krishnan Mahesh; J. Ilja Siepmann

https://doi.org/10.1063/5.0181781

Theoretical Methods and Algorithms

Tailoring light-induced charge transfer and intersystem crossing in FeCO using time-dependent spin–orbit configuration interaction

Benjamin G. Peyton; Zachary J. Stewart; Jared D. Weidman; Angela K. Wilson

https://doi.org/10.1063/5.0173529

Liquids, Glasses, and Crystals

Measuring many-body distribution functions in fluids using test-particle insertion

Adam Edward Stones; Dirk G. A. L. Aarts

https://doi.org/10.1063/5.0172664

Advanced Experimental Techniques

Multimode vibrational dynamics and orientational effects in fluorescence-encoded infrared spectroscopy. I. Response function theory

Lukas Whaley-Mayda; Abhirup Guha; Andrei Tokmakoff

https://doi.org/10.1063/5.0171939

Theoretical Methods and Algorithms

Quantum and classical molecular dynamics for H atom scattering from graphene

Lei Shi; Markus Schröder; Hans-Dieter Meyer; Daniel Peláez; Alec M. Wodtke; Kai Golibrzuch; Anna-Maria Schönemann; Alexander Kandratsenka; Fabien Gatti

https://doi.org/10.1063/5.0176655

Materials, Surfaces, and Interfaces