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Volume 5, Issue 4
December 2024
Issue Cover
All Issues
EISSN 2688-4070
In this Issue

EDITORIALS

Chemical Physics Reviews as a platform for the chemical physics community: The first four years
Ferdinand C. Grozema; Felix N. Castellano
Chem. Phys. Rev. 5, 040401 (2024) https://doi.org/10.1063/5.0235808
View articletitled, <em>Chemical Physics Reviews</em> as a platform for the chemical physics community: The first four years
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REVIEWS

Reaction dynamics of the nonvalence bound states of the anions Featured
Do Hyung Kang; Sang Kyu Kim
Chem. Phys. Rev. 5, 041301 (2024) https://doi.org/10.1063/5.0220345
View articletitled, Reaction dynamics of the nonvalence bound states of the anions
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Metal–metal oxide hybrid catalysts for electrocatalytic CO2 reduction reaction Featured
Zuohuan Chen; Yifan Ye; Kun Jiang
Chem. Phys. Rev. 5, 041302 (2024) https://doi.org/10.1063/5.0223542
View articletitled, Metal–metal oxide hybrid catalysts for electrocatalytic CO<sub>2</sub> reduction reaction
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Electrochemical transformation of 2D materials to their quantum dots
Bikash Ranjan Isaac; Vijayamohanan K. Pillai
Chem. Phys. Rev. 5, 041303 (2024) https://doi.org/10.1063/5.0219794
View articletitled, Electrochemical transformation of 2D materials to their quantum dots
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Supramolecular synthons, tectons, and crystal structures of noncovalent organic frameworks Featured
Ichiro Hisaki; Takuto Fujii; Ryusei Oketani
Chem. Phys. Rev. 5, 041304 (2024) https://doi.org/10.1063/5.0238032
View articletitled, Supramolecular synthons, tectons, and crystal structures of noncovalent organic frameworks
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Electronically excited states in cylindrical molecular aggregates: Exciton delocalization, dynamics, and optical response Featured
T. L. C. Jansen; L. M. Günther; J. Knoester; J. Köhler
Chem. Phys. Rev. 5, 041305 (2024) https://doi.org/10.1063/5.0225327
View articletitled, Electronically excited states in cylindrical molecular aggregates: Exciton delocalization, dynamics, and optical response
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Catalyst development for electrochemical hydrogenation of biomass-derived platform molecules Featured
Kaidi Zhang; Yiwei Sun; Ziyao Chen; Mengyang Dong; Huaiqin Fu; Yiming Xu; Yu Zou; Mengqing Hu; Bo Fu; Xinyu Wang; Waseem Ahmad; Liang Wang; Lei Zhang; Ming Zhou; Yun Wang; Huajie Yin; Porun Liu; Huijun Zhao
Chem. Phys. Rev. 5, 041306 (2024) https://doi.org/10.1063/5.0205930
View articletitled, Catalyst development for electrochemical hydrogenation of biomass-derived platform molecules
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Sparse Gaussian process based machine learning first principles potentials for materials simulations: Application to batteries, solar cells, catalysts, and macromolecular systems Featured
Soohaeng Yoo Willow; Amir Hajibabaei; Miran Ha; David ChangMo Yang; Chang Woo Myung; Seung Kyu Min; Geunsik Lee; Kwang S. Kim
Chem. Phys. Rev. 5, 041307 (2024) https://doi.org/10.1063/5.0231265
View articletitled, Sparse Gaussian process based machine learning first principles potentials for materials simulations: Application to batteries, solar cells, catalysts, and macromolecular systems
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Chiral metal-containing semiconductor nanocrystals: Construction, optical activity, and application Featured
Yi Chen; Junzi Li; Xin Qiu; Qin Zhang; Peizhao Liu; Jiaji Cheng; Tingchao He
Chem. Phys. Rev. 5, 041308 (2024) https://doi.org/10.1063/5.0221573
View articletitled, Chiral metal-containing semiconductor nanocrystals: Construction, optical activity, and application
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ARTICLES

Constrained nuclear-electronic orbital QM/MM approach for simulating complex systems with quantum nuclear delocalization effects incorporated Featured
Xianyuan Zhao; Zehua Chen; Yang Yang
Chem. Phys. Rev. 5, 041401 (2024) https://doi.org/10.1063/5.0226271
View articletitled, Constrained nuclear-electronic orbital QM/MM approach for simulating complex systems with quantum nuclear delocalization effects incorporated
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Elemental diffusion coefficient prediction in conventional alloys using machine learning Featured
Arjun S. Kulathuvayal; Yi Rao; Yanqing Su
Chem. Phys. Rev. 5, 041402 (2024) https://doi.org/10.1063/5.0222001
View articletitled, Elemental diffusion coefficient prediction in conventional alloys using machine learning
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Artificial-intelligence-driven shot reduction in quantum measurement Featured
Senwei Liang; Linghua Zhu; Xiaolin Liu; Chao Yang; Xiaosong Li
Chem. Phys. Rev. 5, 041403 (2024) https://doi.org/10.1063/5.0219663
View articletitled, Artificial-intelligence-driven shot reduction in quantum measurement
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Small tensor product distributed active space (STP-DAS) framework for relativistic and non-relativistic multiconfiguration calculations: Scaling from 109 on a laptop to 1012 determinants on a supercomputer Featured
Hang Hu; Shiv Upadhyay; Lixin Lu; Andrew J. Jenkins; Tianyuan Zhang; Agam Shayit; Stefan Knecht; Xiaosong Li
Chem. Phys. Rev. 5, 041404 (2024) https://doi.org/10.1063/5.0227122
View articletitled, Small tensor product distributed active space (STP-DAS) framework for relativistic and non-relativistic multiconfiguration calculations: Scaling from 10<sup>9</sup> on a laptop to 10<sup>12</sup> determinants on a supercomputer
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Recent progress in the theory of bulk photovoltaic effect
Zhenbang Dai, Andrew M. Rappe
Sparse Gaussian process based machine learning first principles potentials for materials simulations: Application to batteries, solar cells, catalysts, and macromolecular systems
Soohaeng Yoo Willow, Amir Hajibabaei, et al.
Multiscale and hierarchical reaction mechanism in a lithium-ion battery
Yuki Orikasa, Kentaro Yamamoto, et al.
  • Online ISSN 2688-4070

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