Gherib, Radgohar, Pusenkova, Jenab, Turcotte, Lachance-Quirion, Frattini, Genin: A variational hybrid continuous-variable discrete-variable quantum algorithm for adiabatic nuclear dynamics https://arxiv.org/abs/2608.03907 https://arxiv.org/pdf/2608.03907 https://arxiv.org/html/2608.03907

Luca Nils Philipp, Tomislav Begu\v{s}i\'{c}: High-Order Response Functions with Duschinsky Coupling and Finite Temperature: Application to Two-Dimensional Resonance Raman Spectroscopy https://arxiv.org/abs/2608.03879 https://arxiv.org/pdf/2608.03879 https://arxiv.org/html/2608.03879

Angus Mingare, Isabelle Heuz\'e, Peter V. Coveney: TNASS: Tensor Network Active Space Selection with the Entanglement Feature https://arxiv.org/abs/2608.03645 https://arxiv.org/pdf/2608.03645 https://arxiv.org/html/2608.03645

Yuki Uematsu: Negative Differential Capacitance from Composition-Dependent Stern Capacitance in a Binary Mixture https://arxiv.org/abs/2608.03189 https://arxiv.org/pdf/2608.03189 https://arxiv.org/html/2608.03189

Niclas Krupp, Oriol Vendrell: Cooling down trees for finite-temperature quantum dynamics: Purification within ML-MCTDH https://arxiv.org/abs/2608.02932 https://arxiv.org/pdf/2608.02932 https://arxiv.org/html/2608.02932

Matheus M. F. de Moraes, Lee M. Thompson: Resolving Peak Shifting Effects in Real-Time Time-Dependent Orbital Propagation Methods Through Nonorthogonal Expansions https://arxiv.org/abs/2608.02931 https://arxiv.org/pdf/2608.02931 https://arxiv.org/html/2608.02931

Kamp, Lee, Phung, Garcia, Spencer, Yu, Lee: Adaptive Inference and Convergence of Free Energy Landscapes Using Non-parametric Bayesian Enhanced Sampling https://arxiv.org/abs/2608.02888 https://arxiv.org/pdf/2608.02888 https://arxiv.org/html/2608.02888

Masahiko Yoshimura, et al.: A concentration-independent paradigm rendering weak interactions inherently quantifiable https://arxiv.org/abs/2608.02865 https://arxiv.org/pdf/2608.02865 https://arxiv.org/html/2608.02865

Fuyuki Matsuda, Masahiko Yoshimura, Shiro Ikeda, Daishi Fujita: Experimental access to molarity's blind spot in macroscopic assays https://arxiv.org/abs/2608.02864 https://arxiv.org/pdf/2608.02864 https://arxiv.org/html/2608.02864

Akimov, Azriel, Ermolova, Kabanov, Kolesnikova, Rusin, Sevryuk: The Existence Regions for Transcomplex Recombination of Heavy Ions. Two-Dimensional Recombination Regions and Surroundings Indices https://arxiv.org/abs/2608.02818 https://arxiv.org/pdf/2608.02818 https://arxiv.org/html/2608.02818

Anand, Hsu, Vaccaro, Gage, Colburn, Phan, Seo, Guan, Biggin: MDArena: Evaluating Coding Agents on Realistic Molecular Dynamics Workflows https://arxiv.org/abs/2608.02642 https://arxiv.org/pdf/2608.02642 https://arxiv.org/html/2608.02642

Megan Simons, Jonathan Washburn: Finite-Resolution Identifiability and Measurement Design for Molecular Conformer Spectroscopy https://arxiv.org/abs/2608.02637 https://arxiv.org/pdf/2608.02637 https://arxiv.org/html/2608.02637

Eatoo, Emwas, Kharbatia, Mishra: Resolving the Bubble Puzzle: Hydrogen Peroxide Formation Precedes Hydroxyl Radicals in Microbubbles and is Governed by Solid-Water Interfaces https://arxiv.org/abs/2608.02622 https://arxiv.org/pdf/2608.02622 https://arxiv.org/html/2608.02622

[2026-08-05 Wed (UTC), 13 new articles found for physicschem-ph Chemical Physics]

Magnus Petersen, Simon Lichtinger, Roberto Covino: Committors and Reaction Rates from Trial Functions That Violate the Boundary Conditions https://arxiv.org/abs/2608.02536 https://arxiv.org/pdf/2608.02536 https://arxiv.org/html/2608.02536

Zhang, Gao, Yang, Zeng, Chen, Wang, Che: Degradation of Proton Exchange Membrane Water Electrolyzers in Accelerated Stress Tests of Dynamic Load Cycling https://arxiv.org/abs/2608.02389 https://arxiv.org/pdf/2608.02389 https://arxiv.org/html/2608.02389

Tomoya Tamadate, Christopher J. Hogan: Post-Collision Thermal Excitation and Survival-Limited Cluster Growth in the Gas Phase https://arxiv.org/abs/2608.01712 https://arxiv.org/pdf/2608.01712 https://arxiv.org/html/2608.01712

Shuxin Pei, Neil Qiang Su: Reduced Density Matrix Functional Theory Across Molecules and Periodic Systems: Screening and Coupled Optimization https://arxiv.org/abs/2608.00381 https://arxiv.org/pdf/2608.00381 https://arxiv.org/html/2608.00381

Shlomo Segal: Channel selection at identically vanishing dissipation difference: isolating the frenetic sector of the overdamped path measure https://arxiv.org/abs/2608.00041 https://arxiv.org/pdf/2608.00041 https://arxiv.org/html/2608.00041

Sai Shruthi Murali, Skyla B. White, Paul B. Rimmer: New Hydrolysis Rate Constants Reveal Longest Cyanide Persistence in Cool, Neutral Waters https://arxiv.org/abs/2608.00025 https://arxiv.org/pdf/2608.00025 https://arxiv.org/html/2608.00025

[2026-08-04 Tue (UTC), 6 new articles found for physicschem-ph Chemical Physics]

Yaroslav Pavlyukh, Fabien Bruneval, Arno F\"{o}rster: Approaching Coupled Cluster Accuracy with Positive Semidefinite Vertex Corrected Self-Energies https://arxiv.org/abs/2607.29359 https://arxiv.org/pdf/2607.29359 https://arxiv.org/html/2607.29359

Ricardo Buarque, Mauro Gascon, Tod A. Pascal: An anharmonic liquid-entropy functional from the Mori-Zwanzig memory kernel https://arxiv.org/abs/2607.29026 https://arxiv.org/pdf/2607.29026 https://arxiv.org/html/2607.29026

Abdallah Ammar, Enzo Monino, Anthony Scemama, Emmanuel Giner, Pierre-Fran\c{c}ois Loos: Transcorrelated Random-Phase Approximation https://arxiv.org/abs/2607.28845 https://arxiv.org/pdf/2607.28845 https://arxiv.org/html/2607.28845

[2026-08-03 Mon (UTC), 3 new articles found for physicschem-ph Chemical Physics]

Hong-Zhou Ye, Timothy C. Berkelbach: Wavefunction-based periodic quantum chemistry https://arxiv.org/abs/2607.28554 https://arxiv.org/pdf/2607.28554 https://arxiv.org/html/2607.28554

Susanta Das, Subhamoy Bhowmik, Zhen Li, Milana Bazayeva, Danil Kaliakin, Akhil Shajan, Kenneth M. Merz Jr: Quantum Computing Enabled ab initio Molecular Dynamics Simulations https://arxiv.org/abs/2607.28548 https://arxiv.org/pdf/2607.28548 https://arxiv.org/html/2607.28548

Chuchkova, Tretiak, Sheberstov, Barskiy, Kircher, Budker: Wavelength-Resolved Photoinduced Spin Polarization in a Broad Optical Range for a Porphyrin-Quinone System https://arxiv.org/abs/2607.28339 https://arxiv.org/pdf/2607.28339 https://arxiv.org/html/2607.28339

Yijian Wu, Thomas Philippe: Nonclassical condensation pathways revealed by the multivariable theory of nucleation https://arxiv.org/abs/2607.27997 https://arxiv.org/pdf/2607.27997 https://arxiv.org/html/2607.27997

Nikhil Yenugu, Ashwani K Tiwari, Sangita Sen: A Quantum Mechanical Approach to the Computation of Rovibrational Spectra of Diatomic Molecules in Strong Magnetic Fields https://arxiv.org/abs/2607.27907 https://arxiv.org/pdf/2607.27907 https://arxiv.org/html/2607.27907