arXiv physics.chem-ph Chemical Physics

James F. Lutsko: The use of open boundaries in stochastic hydrodynamic models of nucleation https://arxiv.org/abs/2508.05528 https://arxiv.org/pdf/2508.05528 https://arxiv.org/html/2508.05528

Foo, Kermiche, Chowdhury, Aiello, Smith: Mind the Gap: From Resolving Theoretical Foundations of Chiral(ity)-Induced Spin Selectivity to Pioneering Implementations in Quantum Sensing https://arxiv.org/abs/2508.05611 https://arxiv.org/pdf/2508.05611 https://arxiv.org/html/2508.05611

Andrei A. Klimov, Alexei V. Finkelstein: The Mpemba Effect in Pure Water Has a Stochastic Origin. Experimental and Theoretical Resolution of the Paradox https://arxiv.org/abs/2508.05607 https://arxiv.org/pdf/2508.05607 https://arxiv.org/html/2508.05607

Ziwei Chai, Sandra Luber: The Anisotropic Interface Continuum Solvation Model and the Finite-Element Anisotropic Poisson Solver https://arxiv.org/abs/2508.05577 https://arxiv.org/pdf/2508.05577 https://arxiv.org/html/2508.05577

Antonio Prlj, Jack T. Taylor, Ji\v{r}\'i Jano\v{s}, Petr Slav\'i\v{c}ek, Federica Agostini, Basile F. E. Curchod: Best practices for nonadiabatic molecular dynamics simulations https://arxiv.org/abs/2508.05263 https://arxiv.org/pdf/2508.05263 https://arxiv.org/html/2508.05263

[2025-08-08 Fri (UTC), 4 new articles found for physicschem-ph Chemical Physics]

Nikolaos A. Burger, Alexander V. Petrunin, Ann E. Terry Ralf Schweins, Andrea Scotti: Suspensions of small ultra-soft colloids remain liquids in overcrowded conditions https://arxiv.org/abs/2508.04244 https://arxiv.org/pdf/2508.04244 https://arxiv.org/html/2508.04244

Soohaeng Yoo Willow, D. ChangMo Yang, Chang Woo Myung: Hybrid Quantum--Classical Machine Learning Potential with Variational Quantum Circuits https://arxiv.org/abs/2508.04098 https://arxiv.org/pdf/2508.04098 https://arxiv.org/html/2508.04098

I. Konyshev, R. Pradip, O. Page, C. \"Unl\"uer, R. T. Nasibullin, V. V. Rybkin, W. Pernice, S. Ferrari: Calculating Vibronic Spectra with a linear algorithm based on Gaussian Boson Sampling https://arxiv.org/abs/2508.03943 https://arxiv.org/pdf/2508.03943 https://arxiv.org/html/2508.03943

Cecilia M. S. Alvares, Rocio Semino: MARTINI-based force fields for predicting gas separation performances of MOF/polymer composites https://arxiv.org/abs/2508.04672 https://arxiv.org/pdf/2508.04672 https://arxiv.org/html/2508.04672

Cong Wang: Variational free complement method with Gaussian complements https://arxiv.org/abs/2508.04635 https://arxiv.org/pdf/2508.04635 https://arxiv.org/html/2508.04635

Bone, Carmona-Garc\'ia, Hollas, Curchod: Benchmarking electronic-structure methods for the description of dark transitions in carbonyls at and beyond the Franck-Condon point https://arxiv.org/abs/2508.04606 https://arxiv.org/pdf/2508.04606 https://arxiv.org/html/2508.04606

Yanbin Wang, Jakub Rydzewski, Ming Chen: Constructing Generalized Sample Transition Probabilities with Biased Simulations https://arxiv.org/abs/2508.03977 https://arxiv.org/pdf/2508.03977 https://arxiv.org/html/2508.03977

Tomaraei, Binney, Stratton, Zhuang, Wade: H$_2$O and CO$_2$ sorption in ion exchange sorbents: distinct interactions in amine versus quaternary ammonium materials https://arxiv.org/abs/2508.03909 https://arxiv.org/pdf/2508.03909 https://arxiv.org/html/2508.03909

[2025-08-07 Thu (UTC), 5 new articles found for physicschem-ph Chemical Physics]

N. Marrani, T. Hageman, E. Mart\'inez-Pa\~neda: A neural network machine-learning approach for characterising hydrogen trapping parameters from TDS experiments https://arxiv.org/abs/2508.03371 https://arxiv.org/pdf/2508.03371 https://arxiv.org/html/2508.03371

David Dubois: Photochemical Haze Formation on Titan and Uranus: A Comparative Review https://arxiv.org/abs/2508.02963 https://arxiv.org/pdf/2508.02963 https://arxiv.org/html/2508.02963

Alex Berlaga, Michael S. Jones, Andrew L. Ferguson: FlowBack-Adjoint: Physics-Aware and Energy-Guided Conditional Flow-Matching for All-Atom Protein Backmapping https://arxiv.org/abs/2508.03619 https://arxiv.org/pdf/2508.03619 https://arxiv.org/html/2508.03619

Benjamin M. Harless, Jasmine K. Sindelar, J. Daniel Gezelter: Molecular dynamics of ice-active solutions at ice-water interfaces https://arxiv.org/abs/2508.03591 https://arxiv.org/pdf/2508.03591 https://arxiv.org/html/2508.03591

Y. Sajeev: Is the Electron Hydrated Through Covalent Sharing? https://arxiv.org/abs/2508.03318 https://arxiv.org/pdf/2508.03318 https://arxiv.org/html/2508.03318

Blake I. Armstrong, Aaron D. Copeland, Davide Donadio, Paolo Raiteri: Pseudo-grand canonical molecular dynamics via volumetrically controlled osmotic pressure https://arxiv.org/abs/2508.03051 https://arxiv.org/pdf/2508.03051 https://arxiv.org/html/2508.03051

Marco-Tulio F. Rodrigues: Endpoint slippage analysis in the presence of impedance rise and loss of active material https://arxiv.org/abs/2508.02878 https://arxiv.org/pdf/2508.02878 https://arxiv.org/html/2508.02878

McArthur, Alexakis, Puente, McGonigle, Love, Polavarapu, Barron, MacKenzie, Arnold, Cameron: Observation of Rayleigh optical activity for chiral molecules: a new chiroptical tool https://arxiv.org/abs/2508.02696 https://arxiv.org/pdf/2508.02696 https://arxiv.org/html/2508.02696

[2025-08-06 Wed (UTC), 6 new articles found for physicschem-ph Chemical Physics]

Samuele Piccinelli, et al.: Quantum chemistry with provable convergence via randomized sample-based quantum diagonalization https://arxiv.org/abs/2508.02578 https://arxiv.org/pdf/2508.02578 https://arxiv.org/html/2508.02578

an A. Ritacco, et al.: Complexation of a Thermoresponsive Brush-Type Polyelectrolyte with an Oppositely Charged Surfactant: Effect of Temperature and Surfactant Concentration https://arxiv.org/abs/2508.02539 https://arxiv.org/pdf/2508.02539 https://arxiv.org/html/2508.02539

L\'orien MacEnulty, Jo\~ao Paulo Almeida de Mendon\c{c}a, Roberta Poloni, David D. O'Regan: Benchmarking total energies with Hund's J terms in Hubbard-corrected spin-crossover chemistry https://arxiv.org/abs/2508.01979 https://arxiv.org/pdf/2508.01979 https://arxiv.org/html/2508.01979

Krishnayan Basuroy, et al.: Photoinduced Low Spin to High Spin Transition in a [2x2] Fe(II) Metallogrid: Diode Laser-Pumped Photocrystallography at the P11 Beamline in PETRA III, DESY https://arxiv.org/abs/2508.01734 https://arxiv.org/pdf/2508.01734 https://arxiv.org/html/2508.01734

Jiaqing Xie, Weida Wang, Ben Gao, Zhuo Yang, Haiyuan Wan, Shufei Zhang, Tianfan Fu, Yuqiang Li: QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry https://arxiv.org/abs/2508.01670 https://arxiv.org/pdf/2508.01670 https://arxiv.org/html/2508.01670

Giacomo Sorelli, Manuel Gessner, Frank Schlawin: Ultimate resolution limits in coherent anti-Stokes Raman scattering imaging https://arxiv.org/abs/2508.01026 https://arxiv.org/pdf/2508.01026 https://arxiv.org/html/2508.01026