@ChemPhysRev profile picture
Chemical Physics Reviews @ChemPhysRev

CPR is a new journal featuring reviews and original research covering all areas of chemical physics. Published by @AIP_Publishing.

Joined November 2019
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110 Photos and videos
We’re continuing the conversation β€” in a new place. AIP Publishing is now posting on Bluesky: @ aip-publishing.bsky.social Follow us there for the latest researchπŸ§ͺ
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We’re continuing the conversation β€” in a new place. AIP Publishing is now posting on Bluesky: @ aip-publishing.bsky.social Follow us there for the latest researchπŸ§ͺ
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Ultrafast Photochemistry of Gas-Phase Transition Metal Carbonyls. Learn more πŸ‘‡ aippub.org/3FFvCcg
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Reminder ❗ This Special Topic is still open for submissions! Submit by January 1, 2026. Learn more πŸ‘‡ aippub.org/4aTXm7Y
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The construction of quantitative relationships between polymer structure and properties through machine learning is crucial for the design and preparation of high-performance polymer materials. Learn more πŸ‘‡ aippub.org/4cYrJes
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This review maps the landscape of excited-state methods: comparing performance, clarifying limitations, and guiding method selection for diverse molecular systems. Learn more πŸ‘‡ aippub.org/4iHaXSl

Excited-state methods for molecular systems: Performance, pitfalls, and practical guidance

Proper theoretical descriptions of ground and excited states are critical for understanding molecular photophysics and photochemistry. Complex interactions in e

pubs.aip.org
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Chiral metal halide perovskites have rapidly advanced for chiral-induced spin selectivity. This article reviews the structural asymmetry, theories, experiments and state-of-the-art spin-LEDs. Learn more πŸ‘‡ aippub.org/4d6I6pF
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This review introduces computational diabatization schemes for the Dexter type excitation energy transfer coupling and their applications for photosynthetic phenomena such as photoprotection. Learn more πŸ‘‡ aippub.org/44k2IZ5
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Chemical Physics Reviews Editor-in-Chief @FNCastellano is presenting tomorrow at #ACSSpring2025! Learn more πŸ‘‡ aippub.org/4bYgAd8
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With the relationships between all the most popular polariton Hamiltonians clearly derived in one place, cavity polariton theory becomes more accessible for both new and established researchers. @HuoGroup Learn more πŸ‘‡ aippub.org/4kDY8L0
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A modern overview of spatial techniques for machine learning of slow collective variables and enhanced sampling in molecular dynamics simulations. @tugceegokdemir @JakubRydzewski Learn more πŸ‘‡ aippub.org/3XsQxEQ
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In-operando SFG spectroscopy reveals stable CTAB surfactant monolayers across a wide potential range at electrochemical interfaces, providing new insights for interface engineering. Learn more πŸ‘‡ aippub.org/4bst8sW
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We review theory of kernel regressions & applications in materials informatics, highlighting relations between different flavors of the method and other ML methods. Kernel designs are also reviewed. @sciencetokyo_en Learn more πŸ‘‡ aippub.org/4kroQq0

Kernel regression methods for prediction of materials properties: Recent developments

Machine learning (ML) is increasingly used in chemical physics and materials science. One major area of thrust is machine learning of properties of molecules an

pubs.aip.org
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Exploring the potential of machine learning to predict material properties from chemical composition, with a focus on physics-guided ML for accurate, interpretable predictions in materials science. aippub.org/3En7N7O @MoALGq
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Focusing on molecular materials, we outline the theoretical background of exchange coupling and review available methods for its characterization in the electronic ground and excited states aippub.org/3WBRsCD @sabine_richert, @UniFreiburg

Determination of exchange coupling constants in the electronic ground and excited states of...

The interaction between unpaired electrons determines the magnetic properties of molecular materials and consequently their applicability. In particular, for ap

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We discuss how 2D electronic spectroscopy can be applied to exciton-polaritons to reveal previously hidden information about the photophysics of energy relaxation in these hybrid photonic materials. @minjung_son @BUChemistry Learn more πŸ‘‡ aippub.org/4iYjBgU
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Modeling the Lithium dendrite formation sites/scenarios in the solid electrolyte interphase – a multi-component structure in Li-ion batteries, using high-throughput DFT-NEB and ML techniques. @UStateScience Learn more πŸ‘‡ aippub.org/495EDp3
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Incorporating quantum nuclear delocalization via the CNEO-QM/MM framework reveals significant differences in hydrogen bond geometries and dynamics compared to conventional QM/MM. @yangtheorychem @TCI_UW_Madison Learn more πŸ‘‡ aippub.org/3OqPznY
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We review the different approaches to the modelling of the kinetics of exciton decay in materials that emit via thermally activated delayed fluorescence. @ezc_group @StAndrewsOSC @chemguy_eli @StAndrewsChem Learn more πŸ‘‡ aippub.org/4gI0Blx
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Publishing #OpenAccess enhances the visibility and impact of research. Our author select program allows researchers to publish OA across our whole portfolio. Read one of the most downloaded articles from Chemical Physics Reviews as we celebrate #OAWeek! πŸ‘‰ aippub.org/3YjBJZ7
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