Condensed matter physics and materials science form a dynamic partnership, exploring how the collective behavior of atoms gives rise to the unique properties of solids and liquids. This field bridges the gap between fundamental quantum mechanics and the practical engineering of everything from flexible electronics to superconductors, turning abstract theories into tangible innovations that shape our daily lives.

At Gist.Science, we process every new preprint in this category directly from arXiv to make these complex discoveries accessible to everyone. Our team generates both plain-language overviews and detailed technical summaries for each paper, ensuring that researchers, students, and curious minds alike can grasp the latest breakthroughs without getting lost in dense jargon.

Below are the latest papers in condensed matter and materials science, organized by their most recent publication dates.

🔬 physics

Mixture of Experts Framework in Machine Learning Interatomic Potentials for Atomistic Simulations

This paper introduces a multifidelity Mixture-of-Experts framework for machine learning interatomic potentials that spatially partitions simulation domains and employs a co-training strategy to resolve mechanical mismatches at interfaces, thereby achieving high-fidelity accuracy for complex catalytic systems at more than double the computational speed of standard methods.

Gabriel de Miranda Nascimento, Marc L. Descoteaux, Laura Zichi, Chuin Wei Tan, William C. Witt, Nicola Molinari, Sriteja (…)2026-04-30
🔬 materials science

First-Principles Study of Structural, Electronic, Thermal, and Optical Properties of Quasi-2D C2 N2 O Using GGA and HSE06

This first-principles study reveals that the quasi-2D C2N2O material is a thermally stable, low-thermal-conductivity semiconductor with a tunable indirect band gap and strong anisotropic optical absorption, making it a promising candidate for nanoscale optoelectronic and thermal control applications.

Hemn. G. H, Nzar. R. Abdullah, Vidar Gudmundsson2026-04-30
🔬 materials science

Achieving Large Uniaxial and Homogeneous Strain in Two-Dimensional Materials

This paper presents a high-yield, versatile strain platform that enables precise, reversible, and homogeneous uniaxial strain tuning up to ~5.5% in various two-dimensional materials, overcoming previous limitations in strain magnitude, repeatability, and cryogenic performance while also facilitating the study of strain gradients.

Yangchen He, Jessica Kienbaum, Wuzhang Fang, Hongrui Ma, Ying Wang, Ping Yuan, Daniel A. Rhodes2026-04-30
🔬 materials science

Negative magnetoresistance in strained α\alpha-Sn and α\alpha-SnGe films in an in-plane magnetic field

This study demonstrates that negative magnetoresistance observed in strained α\alpha-Sn and α\alpha-SnGe films under in-plane magnetic fields is inconsistent with the chiral anomaly hypothesis, suggesting alternative mechanisms are responsible for the effect.

Sunny Phan (Department of Physics and Astronomy, University of Cincinnati, Cincinnati, OH USA), Andrei Kogan (Department (…)2026-04-30
🔬 materials science

Molecular Dynamics simulations of Al-Ti metallic alloy melts using a transferable machine-learning potential

This study validates a transferable machine-learning potential, originally trained on solid-state properties, for accurately simulating the structural and dynamical characteristics of liquid Al-Ti alloys across various temperatures and compositions, revealing weak chemical ordering and strong agreement with experimental data.

Yuna Kato, Jürgen Brillo, Dirk Holland-Moritz, Fan Yang, Thomas C. Hansen, Thomas Voigtmann, Linnea Heitmeier2026-04-30
🔬 materials science

Polaron Conductivity in α\alpha-Fe2O3 Quenched by Adsorbed NO2

This study utilizes DFT+U calculations to demonstrate that NO2 adsorption on α\alpha-Fe2O3 quenches polaron-mediated conductivity by extracting electrons from the surface, thereby providing a microscopic explanation for the increased resistance observed in hematite-based gas sensors upon exposure to oxidizing gases.

Tushar K. Ghosh, Elvar Ö. Jónsson, Stephan Steinhauer, Panagiotis Grammatikopoulos, Hannes Jónsson2026-04-30
🔬 materials science

A Theoretical Investigation of the Thermal and Photochemical Mechanisms of Ethylbenzene Dehydrogenation on Rutile TiO2_{2}(110)

This master's thesis utilizes a dual-methodological quantum chemical approach to reveal that ethylbenzene dehydrogenation on rutile TiO2_{2}(110) proceeds via proton-coupled electron transfer on stoichiometric surfaces but shifts to a more efficient direct hydrogen atom transfer mechanism on oxidized surfaces, with photon energy determining whether the reaction bypasses ground-state kinetic barriers through excited-state persistence.

Nico Yannik Merkt2026-04-30
🔬 materials science

Geometry-Based Neural-Network Prediction of Electron Localization Function Topology in Dense Hydrogen

This paper presents a machine-learning framework that accurately predicts the electron localization function topology of dense hydrogen directly from atomic geometry, demonstrating high fidelity across fluid and crystalline phases while bypassing explicit electronic-structure calculations.

Xiaoyu Wang, Miriam Marqués, Sergio Gómez, Francesc Serratosa, Eva Zurek, Julia Contreras-García2026-04-30
🔬 applied physics

Physics-based modeling of cyclic and calendar aging of LIBs with Si-Gr composite anodes

This paper presents a physics-based model that disentangles and analyzes the distinct degradation mechanisms of silicon-graphite composite anodes in lithium-ion batteries, specifically addressing the interplay between SEI growth, particle cracking, and active material loss under various cycling, storage, and check-up conditions to inform future battery optimization.

Micha C. J. Philipp, Lukas Köbbing, Alexander Karger, Andreas Jossen, Arnulf Latz, Birger Horstmann2026-04-30