Double Configuration Interaction Singles: Scalable and size-intensive approach for orbital relaxation in excited states and bond-dissociation

This paper introduces a novel, scalable, and size-intensive "Double Configuration Interaction Singles" method that utilizes a perturbative treatment of the electronic Hessian to variationaly account for orbital relaxation, thereby significantly improving the accuracy of charge-transfer excitation energies and single bond dissociation descriptions while maintaining a mean-field computational cost.

Takashi Tsuchimochi2026-03-06🔬 physics

The importance of being discrete -- An agent-based model for active nematics and more

This paper introduces a versatile, momentum-conserving agent-based model for active flexible rods that successfully reproduces key hallmarks of active turbulence, such as spontaneous flows and defect dynamics, while also capturing emergent density-orientation coupling and enabling the simulation of complex phenomena like 3D flows and tissue growth.

Mathieu Dedenon, Carles Blanch-Mercader, Karsten Kruse + 1 more2026-03-06🔬 physics

Quantitative EUV ptychography reveals nanoscale morphological responses of bacteria under physiological and antibiotic stress

This study demonstrates that tabletop extreme ultraviolet (EUV) ptychography provides a powerful, label-free, and quantitative imaging platform with 44 nm resolution to reveal nanoscale morphological and compositional changes in *Escherichia coli* and *Bacillus subtilis* under physiological and antibiotic stress.

Chang Liu, Leona Licht, Christina Wichmann + 7 more2026-03-06🔬 physics

A Scalable Diagonalization Framework for Tensor-Product Bitstring Selected Configuration Interaction

This paper introduces TBSCI, a fully distributed diagonalization framework utilizing a tensor-product bitstring representation and novel communication strategies that overcomes memory bottlenecks to enable scalable selected configuration interaction calculations on over 2.5 million cores while demonstrating the method's ability to achieve near-full configuration interaction accuracy with a compact wavefunction.

Enhua Xu, William Dawson, Himadri Pathak + 1 more2026-03-06🔬 physics

Bayesian model selection of Primordial Black Holes and Dressed Primordial Black Holes with lensed Gravitational Waves

This paper demonstrates that third-generation ground-based gravitational wave detectors, such as the Einstein Telescope and Cosmic Explorer, can effectively distinguish between bare primordial black holes and dressed primordial black holes surrounded by dark matter using Bayesian model selection on lensed gravitational wave signals.

Xin-yi Lin, Zhengxiang Li, Jian-dong Zhang2026-03-06🔬 physics

Physics-Embedded Bayesian Neural Network (PE-BNN) to predict Energy Dependence of Fission Product Yields with Fine Structures

This paper introduces a physics-embedded Bayesian neural network (PE-BNN) framework that integrates an energy-independent phenomenological shell factor and WAIC-based hyperparameter optimization to accurately predict energy-dependent fission product yields with fine structures and close agreement with known nuclear shell effects.

Jingde Chen, Yuta Mukobara, Kazuki Fujio + 3 more2026-03-06🔬 physics

Uncertainty quantification and stability of neural operators for prediction of three-dimensional turbulence

This study introduces a factorized-implicit Fourier Neural Operator (F-IFNO) framework that enhances long-term stability and accuracy in predicting three-dimensional turbulence by integrating uncertainty quantification and error propagation analysis to overcome the limitations of traditional models and existing neural operators.

Xintong Zou, Zhijie Li, Yunpeng Wang + 2 more2026-03-06🔬 physics

Unifying renormalized and bare viscosity in two-dimensional molecular dynamics simulations

This paper utilizes two-dimensional molecular dynamics simulations to introduce a wavenumber-dependent viscosity that unifies renormalized and bare viscosity by demonstrating how equilibrium stress correlations diverge at small wavenumbers while determining bare viscosity at large wavenumbers, thereby bridging mesoscopic fluctuations and macroscopic transport through microscopic dynamics.

Kazuma Yokota, Masato Itami, Shin-ichi Sasa2026-03-06🔬 physics