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19932026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

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110 papers · 1 filter

physics.chem-ph2025

QMCkl: A Kernel Library for Quantum Monte Carlo Applications

Emiel Slootman, Vijay Gopal Chilkuri, Aurelien Delval +16

Quantum Monte Carlo (QMC) methods deliver highly accurate electronic structure calculations but are computationally intensive. The quantum Monte Carlo kernel library (QMCkl) provid…

physics.app-ph2025★ 1 cited

Acoustic scattering singularities via quasi-Bound states in the continuum

Anis Maddi, Mourad Oudich, Aurelien Merkel +2

Non-Hermitian systems enable advanced control of wave propagation by exploiting engineered losses. This introduces an additional degree of freedom that permits the emergence of exc…

physics.bio-ph2025

All in one: holographic microscopy unveils bacterial transport from single cells to population

Lucie Klopffer, S. Becker, Laurence Mathieu +1

Prior to pioneer surface adhesion, bacteria have to navigate in flows, often in confined environments. While much is known about their individual swimming dynamics, our understandi…

cond-mat.mes-hall2025

Spin current symmetries generated by GdFeCo ferrimagnet across its magnetisation compensation temperature

Héloïse Damas, Michel Hehn, Juan-Carlos Rojás-Sanchez +1

Ferrimagnets, composed of antiferromagnetically coupled magnetic sublattices whose net magnetisation can be tuned by temperature, offer a unique platform for probing the symmetry o…

math.NA2025

From flocking to jamming in collective cell dynamics: a Vicsek-like model including contact forces

Laurent Navoret, Roxana Sublet, Marcela Szopos

The goal of the present work is to propose an agent-based model that originally combines classical Vicsek-like polarity alignments and contact forces, as implemented in the framewo…

cond-mat.mtrl-sci2025★ 8 cited

Accelerated Discovery of Crystalline Materials with Record Ultralow Lattice Thermal Conductivity via a Universal Descriptor

Xingchen Shen, Jiongzhi Zheng, Michael Marek Koza +9

Ultralow glass-like lattice thermal conductivity in crystalline materials is crucial for enhancing energy conversion efficiency in thermoelectrics and thermal insulators. We introd…

cs.AI2025

Generalizing Analogical Inference from Boolean to Continuous Domains

Francisco Cunha, Yves Lepage, Miguel Couceiro +1

Analogical reasoning is a powerful inductive mechanism, widely used in human cognition and increasingly applied in artificial intelligence. Formal frameworks for analogical inferen…

cs.LO2025

Bifurcation Logic: Separation Through Ordering

Didier Galmiche, Timo Lang, Daniel Méry +1

We introduce Bifurcation Logic, BL, which combines a basic classical modality with separating conjunction * together with its naturally associated multiplicative implication, that…

math.OC2025

Optimal sets for the quantitative isoperimetric inequality in the plane with the barycentric distance

Gisella Croce, Antoine Henrot

In a recent paper, C. Gambicchia and A. Pratelli proved a quantitative isoperimetric inequality involving the isoperimetric deficit and the barycentric distance for…

cond-mat.stat-mech2025★ 1 cited

Short-time dynamics in phase-ordering kinetics

Leila Moueddene, Malte Henkel

Short-time dynamics in the Blume-Capel model, with a non-conserved order-parameter and short-ranged interactions, is analysed. For non-equilibrium dynamics, both at a critical…

cs.GT2025

ε-Optimally Solving Two-Player Zero-Sum POSGs

Erwan Christian Escudie, Matthia Sabatelli, Olivier Buffet +1

We present a novel framework for ε-optimally solving two-player zero-sum partially observable stochastic games (zs-POSGs). These games pose a major challenge due to the absence of…

math.PR2025

General multi-scale estimates for Lyapunov data of Perron-Frobenius matrices. The case of diluted autocatalytic chemical reaction networks

Jeremie Unterberger

Autocatalytic chemical reaction networks are dynamical systems whose linearization around zero, dX/dt = AX, is represented by a Perron-Frobenius matrix A with positive Lyapunov exp…

math.AG2025

Hyperbolicity and fundamental groups of complex quasi-projective varieties (I): Maximal quasi-Albanese dimension by Nevanlinna theory

Benoit Cadorel, Ya Deng, Katsutoshi Yamanoi

This is the first part of a series of three papers. In this paper, we establish a Big Picard type theorem for holomorphic maps , where is a ramified covering of the…

math.NA2025

Neural network-driven domain decomposition for efficient solutions to the Helmholtz equation

Victorita Dolean, Daria Hrebenshchykova, Stéphane Lanteri +1

Accurately simulating wave propagation is crucial in fields such as acoustics, electromagnetism, and seismic analysis. Traditional numerical methods, like finite difference and fin…

cond-mat.str-el2025

Ultrafast recovery dynamics of dimer stripes in IrTe2

M. Rumo, G. Kremer, M. Heber +10

The transition metal dichalcogenide IrTe2 displays a remarkable series of first-order phase transitions below room temperature, involving lattice displacements as large as 20 perce…

cond-mat.mes-hall2025★ 2 cited

Magnetic-field controlled organic spintronic memristor for neural network computation

Tongxin Chen, Yinyu Nie, Yafei Hao +4

Memristors are emerging as key electronic components that retain resistance states without power. Their non-volatile nature and ability to mimic synaptic behavior make them ideal f…

eess.SY2025

The PhasorArray Toolbox for Harmonic Analysis and Control Design

Maxime Grosso, Pierre Riedinger, Jamal Daafouz

We present a MATLAB package called the Pha-sorArray Toolbox that has been developed to make harmonic analysis and control methods both practical and user-friendly. The toolbox adop…

math.PR2025

Averaging principle for jump processes depending on fast ergodic dynamics

Vincent Kagan, Edouard Strickler, Denis Villemonais

We consider a slow-fast stochastic process where the slow component is a jump process on a measurable index set whose transition rates depend on the position of the fast component.…

math.CV2025

Generalized Brieskorn Modules III. The algebra

Daniel Barlet

In this paper we introduce and study the ''convergent'' algebra (containing ''a'' and ''b'' and acting on holomorphic germs in ''a'') which naturally acts on the ''generalized Brie…

quant-ph2025

Generalised fractional Rabi problem

Alexander Lopez, Sébastien Fumeron, Malte Henkel +2

Fractional quantum dynamics provides a natural framework to capture nonlocal temporal behavior and memory effects in quantum systems. In this work, we analyze the physical conseque…

math.OC2025

Rapid stabilization for a wave equation with boundary disturbance

Patricio Guzmán, Agustín Huerta, Hugo Parada

In this paper, we study the rapid stabilization of an unstable wave equation, in which an unknown disturbance is located at the boundary condition. We address two different boundar…

math.CA2025

An existence theorem for sliding minimal sets

Guy David, Camille Labourie

We prove an existence theorem for the sliding boundary variant of the Plateau problem for -dimensional sets in . The simplest case of sufficient condition is when…

cs.CL2025

BEST-RQ-Based Self-Supervised Learning for Whisper Domain Adaptation

Raphaël Bagat, Irina Illina, Emmanuel Vincent

Automatic Speech Recognition (ASR) systems, despite large multilingual training, struggle in low-resource scenarios where labeled data is scarce. We propose BEARD (BEST-RQ Encoder…

cs.LO2025★ 317 cited

Resource-Aware Quantum Programming with General Recursion and Quantum Control

Kostia Chardonnet, Emmanuel Hainry, Romain Péchoux +1

This paper introduces the hybrid quantum language with general recursion , driven towards resource-analysis. By design, does not require the specif…