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The Journal of Chemical Physics | ResearchHub - ResearchHub

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The Journal of Chemical Physics

AIP Publishing · ISSN 0021-9606

30

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Researchers publishing here

20 linked researchers

Timothy C. Berkelbach Kaihui Liu J. Pedro de Souza Haibin Su Jiří J. L. Vaníček Ethan A. Vo Hung T. Vuong Zachary K. Goldsmith Hong-Zhou Ye Sohang Kundu Ardavan Farahvash Garvit Agarwal Richard A. Friesner E. R. Chakalov A. V. Bandura D. A. Kamynin P. M. Tolstoy S. Lauterbach F. Tuttas Henning Reinken

Research in this journal

Thawed Gaussian Ehrenfest dynamics2026 · Jiří J. L. Vaníček · 0 citations

Are multiple proton transfers in (HCO3)2(2−) dimers in kalicinite, KHCO3, coupled to vibrations of heavy atoms? A periodic DFT and LMP2 description2026 · E. R. Chakalov, A. V. Bandura, D. A. Kamynin · 0 citations

A harmonically coupled-anharmonic-oscillator approach for polyatomic chemistry modeling in DSMC2026 · S. Lauterbach, F. Tuttas · 0 citations

Adsorption energies and decomposition barrier heights for ethylene carbonate on the surface of lithium from cluster-based quantum chemistry2026 · Ethan A. Vo, Hung T. Vuong, Zachary K. Goldsmith · 0 citations

Hydrodynamics substantially affects induced structure formation in magnetic fluids2026 · Henning Reinken, Markus Heiber, Takeaki Araki · 0 citations

Reordering-mediated nucleation dynamics in early stage phase separation2026 · Kaicheng Zhu, Haibin Su · 0 citations

Polymer-residue accessibility shapes sequence dependence of critical temperatures for phase separation2026 · J. Pedro de Souza, Benjamin Sorkin, Amala Akkiraju · 0 citations

Electronic origin of ion-specific structural responses: The role of charge density and self-interaction error2026 · Weiyu Li, Yankai Ding, Zhaoru Sun · 0 citations

A trick of the tail: How electrostatics helps a DNA repair enzyme to localize on nucleosomes2026 · Safwen Ghediri, Guillaume Brysbaert, Fabrizio Cleri · 0 citations

Machine learning molecular dynamics for reaction rates of CO oxidation on Pt(111): Impact of site preference and oxygen coverage2026 · Ruihao Fan · 0 citations

Dynamics of charge fluctuations in nanocapacitors: Effects of salt concentration and electrode metallicity from Brownian dynamics2026 · Paul Desmarchelier, Benjamin Rotenberg · 0 citations

Molecular dynamics simulation and QM/MM study of IscB-ωRNA complex2026 · Amina Abula, Ganggang Bai, Buyong Ma · 0 citations

Probing protein structures in solution via concentration- and temperature-dependent small- and wide-angle x-ray scattering2026 · Hyun Sun Cho, Friedrich Schotte, John M. Louis · 0 citations

Local order average-atom interatomic potentials2026 · Chloe A. Zeller, Ronald E. Miller, Ellad B. Tadmor · 0 citations

Accurate electron affinities from anion HOMO energies within the self-consistent random phase approximation2026 · Raviraj Mandalia, Andreas Görling · 0 citations

Intramolecular relaxation of block copolymeric rings in dilute solutions2026 · Parbati Biswas · 0 citations

Computational x-ray absorption spectroscopy of gold nanoclusters2026 · M. Laborenz, S. Malola, H. Häkkinen · 0 citations

Time-dependent quantum dynamics of NO(X) + Ar: Rotational excitation pathways and comparison with mixed quantum/classical theory2026 · Christopher Robertson, Matthew Strutton, Max McCrea · 0 citations

Stable and transferable exchange–correlation potentials via machine-learned density-independent mapping2026 · Michele Pavanello, Wenhui Mi, Xuecheng Shao · 0 citations

A QM/MM calculation to identify a low frequency mode that causes anharmonic vibrational coupling in green fluorescent protein2026 · Tomotsumi Fujisawa, Masashi Unno · 0 citations

Effect of crystal size on triplet pair dynamics in singlet fission of rubrene2026 · Kazuma Kachi, Tadaaki Ikoma · 0 citations

Coherent-state field-theoretic simulations of fluctuation-dominated reaction–diffusion systems2026 · Christopher Balzer, Ethan C. McGarrigle, Glenn H. Fredrickson · 0 citations

Thermal conductivity of water from ambient to cryogenic conditions: Thermal history effects in amorphous solid water2026 · Ove Andersson, Changqing Jin · 0 citations

Variational formulation for the dynamics of soft matter including inertia2026 · Andrew J. Archer · 0 citations

Direct observation of interlayer-coupling-induced anomalous energy-dependent ultrafast carrier relaxation in graphite2026 · Shijie Duan, Xiaoxiang Yu, Enrui Zhang · 0 citations

Electron density structural torsion2026 · Minhhuy Hô, Chérif F. Matta · 0 citations

Polymer–peptide interfacial interactions investigated by molecular dynamics simulations2026 · In-Chul Yeh, Mark T. Kozlowski, Joshua A. Orlicki · 0 citations

Probing symmetry-driven DEA dynamics in ozone investigated by velocity slice imaging technique2026 · Melvin Varghese, Dharun J, Nigel J. Mason · 0 citations

Kinetically constrained ring-polymer molecular dynamics extended to all regimes of electronic coupling2026 · Victor A. Suarez, Joshua S. Kretchmer · 0 citations

Economized path integrals2026 · Zezhu Zeng, David E. Manolopoulos · 0 citations