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.

🔬 materials science

Ab-initio study of structural, vibrational and non-linear optical properties of (TiO2)-(Tl2O)-(TeO2) glasses

This study employs first-principles molecular dynamics to reveal how Tl2_2O induces network depolymerization while TiO2_2 promotes repolymerization in tellurite glasses, providing a predictive framework for tailoring their structural connectivity and non-linear optical properties.

Raghvender Raghvender, Assil Bouzid, Evgenii M. Roginskii, David Hamani, Olivier Noguera, Philippe Thomas, Olivier Masso (…)2026-05-27
🔬 materials science

Defect thermodynamics of orthorhombic Ba2_2In2_2O5_5: First-principles calculations on the role of oxygen dumbbell interstitials

Using first-principles calculations, this study reveals that oxygen vacancies and stable neutral dumbbell interstitials dominate the intrinsic defect landscape of orthorhombic Ba2_2In2_2O5_5, providing a comprehensive thermodynamic framework for understanding its ionic and electronic conductivity in solid oxide fuel cells.

Rachele Sciotto, Karsten Albe2026-05-27
🔬 materials science

Accelerating discovery across scientific disciplines through reproducible workflows with AiiDAlab

This paper presents AiiDAlab, a Jupyter-based web platform built on the AiiDA infrastructure that empowers scientists across diverse disciplines to automate, manage, and analyze complex computational workflows with full reproducibility, while highlighting its recent expansion into electronic laboratory notebooks, large-scale facilities, and educational settings.

Aliaksandr V. Yakutovich, Daniel Hollas, Edan Bainglass, Jusong Yu, Corsin Battaglia, Miki Bonacci, Lucas Fernandez Vila (…)2026-05-27
🔬 materials science

Direct simulations of H-He mixtures at planetary interior conditions: demixing, insulator-metal transition and miscibility boundaries

This study employs direct large-scale ab initio simulations to propose a novel method for determining the immiscibility boundary of H-He mixtures, revealing that helium admixture significantly delays the insulator-metal transition and drastically reduces electrical and thermal conductivities, thereby profoundly impacting the thermal evolution, internal structure, and dynamo action of gas giants like Jupiter and Saturn.

Valentin V. Karasiev, S. X. Hu, Joshua P. Hinz, R. M. N. Goshadze, Shuai Zhang, Armin Bergermann, Ronald Redmer2026-05-27
🔬 mesoscale physics

Charge and energy transport in graphene with smooth finite-range disorder

This paper investigates charge and energy transport in monolayer graphene with smooth finite-range disorder by employing a nonperturbative approach that combines exact scattering matrices with the Boltzmann equation, revealing significant deviations from standard perturbative predictions and the Wiedemann-Franz law, particularly at low energies.

Juan A. Cañas, Daniel A. Bonilla, J. C. Pérez-Pedraza, A. Martín-Ruiz2026-05-27
🔬 materials science

AutoDFT: A Closed-Loop Multi-Agent Framework for Autonomous DFT Calculations

AutoDFT is a closed-loop multi-agent framework that integrates LLM reasoning throughout the entire DFT lifecycle to automate planning, parameter generation, and error recovery, achieving high success rates on diverse benchmarks and enabling non-experts to obtain reliable first-principles materials predictions.

Penghui Yang, Zhonghan Zhang, Yue Li, Xinrun Wag, Yanchen Deng, Yuhao Lu, Bijun Tang, Zheng Liu, Bo An2026-05-27
🔬 materials science

Diamond compound refractive lenses for high energy Dark Field X-ray Microscopy

This paper presents the development and characterization of diamond compound refractive lenses (CRLs) for Dark-field X-ray Microscopy, demonstrating their superior performance at high photon energies (up to 37 keV) compared to traditional beryllium and aluminum lenses, thereby enabling the investigation of previously opaque, thick iron-based samples.

Steffen Staeck, Can Yildirim, Frank Seiboth, Terence Manning, Thomas Roth, Jean-Charles Stinville, Carsten Detlefs2026-05-27
🔬 materials science

Resilience of the physicochemical properties of graphene-based materials for applications in harsh radiation environments

This study demonstrates that the structural and electrical resilience of graphene-based materials under 60 MeV 35Cl ion irradiation depends critically on their initial order, with highly oriented pyrolytic graphite (HOPG) suffering progressive degradation while multilayer reduced graphene oxide (ML-rGO) exhibits potential for radiation-induced structural reorganization and enhanced ordering.

Marcilei A. Guazzelli, Saulo G. Alberton, Nemitala Added, Vitor A. P. Aguiar, Koiti Araki, Luis H. Avanzi, Francesco Cap (…)2026-05-27
🔬 materials science

Finite Temperature Stacking Fault Stability in Random and Locally Ordered CoCrNi beyond the Harmonic Approximation

This study demonstrates that while local chemical order stabilizes positive stacking-fault energy in CoCrNi across temperatures, finite-temperature anharmonic effects fail to thermally stabilize the negative stacking-fault energy predicted for random solid solution CoCrNi, thereby resolving the discrepancy between previous harmonic DFT predictions and experimental observations.

Reza Namakian, Fei Shuang, Thomas D Swinburne, Poulumi Dey, Ali Erdemir, Wei Gao2026-05-27
🔬 materials science

Modulation of charge density waves in a twisted vortex moire superlattice

This study demonstrates that a twisted vortex moire superlattice formed between monolayer VTe2 and NbSe2 enables nanoscale manipulation of charge density waves through strain-induced reconstruction of the CDW landscape, creating inequivalent local phases that compete with proximity-induced superconductivity.

Qian Fang, Yanhao Shi, Jingyi Duan, Hui Guo, Yikai Chen, Senhao Lv, Jiayi Wang, Zhongyi Cao, Jiayi Huang, Siyu Xu, Haita (…)2026-05-27