Quantum-corrected NMR crystallography at scale

This paper introduces a scalable quantum-nuclei-corrected NMR crystallography approach (QNC-NMR) that leverages the machine-learning potential PET-MOLS to generate quantum ensembles, thereby significantly improving the accuracy of chemical shielding predictions for hydrogen-bonded protons and enabling applications to amorphous materials without empirical corrections.

Matthias Kellner, Ruben Rodriguez-Madrid, Jacob B. Holmes, Victor Paul Principe, Lyndon Emsley, Michele CeriottiMon, 09 Ma🔬 physics

Confined drying of a binary liquid mixture droplet: A quantitative interferometric study under humidity control

This study presents a robust quantitative framework combining Mach-Zehnder interferometry with humidity-controlled confinement to precisely map the drying kinetics and internal concentration fields of water-glycerol droplets, successfully validating a diffusion-controlled evaporation model and extracting concentration-dependent transport properties while confirming that mass diffusion dominates over buoyancy-driven convection.

Ole Milark, Jean-Baptiste Salmon, Benjamin SobacMon, 09 Ma🔬 physics

Parity violation effects in helical osmocene: theoretical analysis and experimental prospects

This paper presents a theoretical investigation identifying promising vibrational transitions in helical osmocene with significant parity-violating shifts, proposing a pathway for the first experimental detection of parity violation in a chiral molecule using ultra-precise mid-IR spectroscopy.

Eduardus, Agathe Bonifacio, Mathieu Manceau, Naoya Kuroda, Masato Senami, Juan J. Aucar, I. Agustín Aucar, Marit R. Fiechter, Trond Saue, Jeanne Crassous, Benoît Darquié, Shirin Faraji, Lukáš F. Pašteka, Anastasia BorschevskyMon, 09 Ma🔬 physics

Spin-Orbit Induced Non-Adiabatic Dynamics: An Exact Ω\Omega-Representation

This paper demonstrates that transforming molecular Hamiltonians to the adiabatic Ω\Omega representation to eliminate spin-orbit coupling inadvertently generates significant non-adiabatic couplings that must be explicitly included to avoid severe errors in rovibronic predictions, providing exact conditions for validity and practical diagnostics for when single-state approximations fail.

Ryan P. Brady, Sergei N. YurchenkoMon, 09 Ma🔬 physics

Sparse probabilistic evaluation for treatment planning: a feasibility study in IMPT head & neck patients

This feasibility study demonstrates that Sparse Probabilistic Evaluation (SPE), a computationally efficient method using a predefined error grid, achieves sufficient accuracy for probabilistic treatment planning in IMPT head and neck patients while maintaining clinically acceptable computation times.

Jenneke I. de Jong, Steven J. M. Habraken, Albin Fredriksson, Johan Sundström, Erik Engwall, Sebastiaan Breedveld, Mischa S. HoogemanMon, 09 Ma🔬 physics

How students use generative AI for computational modeling in physics

This study investigates how students utilize generative AI in physics computational modeling, finding that while it aids planning and debugging, productive use requires limiting reliance to small steps and verifying outputs, whereas over-reliance hinders fundamental learning and necessitates pedagogical adjustments like emphasizing pre-coding planning and maintaining human support.

Karl Henrik Fredly, Tor Ole Odden, Benjamin M. ZwicklMon, 09 Ma🔬 physics

Proto-0: a prototype for validating key technologies of the DarkSide-20k experiment and beyond

This paper reports on the early operation and single-phase commissioning of Proto-0, a small-scale dual-phase argon TPC at INFN Naples designed to validate key technologies for the upcoming DarkSide-20k experiment, with a specific focus on measuring scintillation light yield using calibration sources.

Riccardo de Asmundis (for the DarkSide-20k Collaboration), Roberta Calabrese (for the DarkSide-20k Collaboration), Mauro Caravati (for the DarkSide-20k Collaboration), Giuliana Fiorillo (for the DarkSide-20k Collaboration), Leandro Flores (for the DarkSide-20k Collaboration), Gianfrancesco Grauso (for the DarkSide-20k Collaboration), Giuseppe Matteucci (for the DarkSide-20k Collaboration), Noemi Pino (for the DarkSide-20k Collaboration), Dmitrii Rudik (for the DarkSide-20k Collaboration), Maria Adriana Sabia (for the DarkSide-20k Collaboration), Yury Suvorov (for the DarkSide-20k Collaboration)Mon, 09 Ma🔬 physics

Long-range machine-learning potentials with environment-dependent charges enable predicting LO-TO splitting and dielectric constants

This paper introduces machine-learning potentials incorporating environment-dependent long-range electrostatic charges that improve training accuracy for diverse systems and enable the prediction of key dielectric properties, such as LO-TO splitting and dielectric constants, using only energy, force, and stress data.

Dmitry Korogod, Alexander V. Shapeev, Ivan S. NovikovMon, 09 Ma🔬 physics

Exotic Pressure-Driven Band Gap Widening in Carbon Chain-Filled KFI Zeolite and Its Pathway to High-Pressure Semiconducting Electronics and High-Temperature Superconductivity

This paper reports the discovery of pressure-induced band gap widening in carbon-chain-filled KFI zeolite and the synthesis of ultra-long cumulene chains within this framework, which exhibit a record-breaking superconducting transition temperature of approximately 62 K, offering new pathways for high-pressure semiconducting electronics and high-temperature superconductivity.

C. T. Wat, K. C. Lam, W. Y. Chan, C. P. Chau, S. P. Ng, W. K. Loh, L. Y. F. Lam, X. Hu, C. H. WongMon, 09 Ma🔬 physics

Comprehensive characterization of a YAG:Ce scintillator: light yield, alpha quenching and pulse-shape discrimination

This paper presents a comprehensive experimental characterization of a YAG:Ce scintillator, detailing its light yield, temperature-dependent decay time, alpha quenching factors, and strong pulse-shape discrimination capabilities across a wide energy range to validate its suitability for reliable radiation detection and particle identification.

L. Gironi, S. Dell'Oro, E. Giussani, C. Gotti, E. Mazzola, M. Nastasi, D. PeracchiMon, 09 Ma🔬 physics

Evaluating the Predictability of Selected Weather Extremes with Aurora, an AI Weather Forecast Model

This study evaluates Aurora, an AI weather model, and finds that while it achieves strong short-range (1–7 day) forecast skill for various weather extremes comparable to traditional methods, its ability to predict the intensity of these events degrades significantly beyond 7–10 days as predictions regress toward climatology, indicating that intrinsic atmospheric dynamics still limit the practical predictability horizon for deterministic AI extreme-event forecasting.

Qin Huang, Moyan Liu, Yeongbin Kwon, Upmanu LallMon, 09 Ma🔬 physics

Matlantis-PFP v8: Universal Machine Learning Interatomic Potential with Better Experimental Agreements via r2SCAN Functional

The paper introduces Matlantis-PFP v8, a universal machine learning interatomic potential trained on the more accurate r2SCAN functional rather than PBE, which achieves systematically improved agreement with experimental data and high-accuracy references across diverse chemical domains without requiring domain-specific fine-tuning.

Chikashi Shinagawa, So Takamoto, Daiki Shintani, Yong-Bin Zhuang, Yuta Tsuboi, Katsuhiko Nishimra, Kohei Shinohara, Shigeru Iwase, Yuta Tanaka, Ju LiFri, 13 Ma🔬 physics

Extended Structural Dynamics and the Lorentz Abraham Dirac Equation: A Deformable Charge Interpretation

This paper resolves the well-known pathologies of the Lorentz Abraham Dirac equation by modeling charged particles as finite, deformable spheres with internal breathing modes, thereby deriving a causal radiation reaction force that eliminates pre-acceleration and runaway solutions while providing a mechanical interpretation of the Schott term as reversible internal energy storage.

Patrick BarAviFri, 13 Ma🔬 physics