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

Dynamical Hubbard approach to correlated materials: the case of transition-metal monoxides

This paper extends the dynamical Hubbard functional formulation to spin-polarized and multi-site cases, demonstrating that this efficient and transparent approach accurately captures electronic correlations in transition-metal monoxides (MnO, FeO, CoO, and NiO) with results comparable to or better than state-of-the-art theories.

Mario Caserta, Tommaso Chiarotti, Marco Vanzini, Nicola Marzari2026-10-08
🔬 materials science

Exploring Magnetism of Lead-free Halide Double Perovskites: A High-Throughput First-Principles Study

This high-throughput first-principles study investigates the magnetic properties of lead-free halide double perovskites, revealing that while most exhibit antiferromagnetism, specific alloyed compounds like Cs2AgNiCl6Cs_2AgNiCl_6 and Cs2AuNiCl6Cs_2AuNiCl_6 show promise as high-temperature ferromagnetic half-metals for spintronics applications.

Utkarsh Singh, Johan Klarbring, Igor A. Abrikosov, Sergei I. Simak2026-10-08
🔬 materials science

Interface Energy and Phase Transformations: A Comparative Analysis of Cahn-Hilliard and CALPHAD-based Models in Ternary Substitutional Alloys

This paper presents a thermodynamically consistent finite element scheme derived from the thermodynamic extremal principle that unifies Cahn-Hilliard phase-field models and CALPHAD-based reactive diffusion models into a single framework capable of handling both regularized interfaces and degenerate Stefan-type problems on fixed meshes while ensuring exact mass conservation and discrete energy dissipation.

Wolfgang Flachberger, Thomas Antretter, Swaroop Gaddikere-Nagaraja, Silvia Leitner, Manuel Petersmann, Jiri Svoboda2026-10-08
🔬 materials science

An extended deep energy method for thermo-mechanical crack propagation

This paper presents an extended deep energy method that utilizes two neural networks and a sharp polyline representation to solve coupled thermo-mechanical crack propagation problems, achieving high accuracy in stress intensity factor extraction and crack path prediction across various loading conditions without requiring a regularization length.

Han Zhang, Mehrisadat Makki Alamdari, Babak Shahbodagh, Mohammad Vahab, Cosmin Anitescu, Timon Rabczuk, Elena Atroshchen (…)2026-10-08
🔬 materials science

Accelerating dynamic polarizability calculations of organic molecules using equivariant graph neural networks

This paper introduces an equivariant graph neural network that rapidly and accurately predicts the frequency-dependent dynamic polarizability tensors of organic molecules, enabling efficient large-scale screening for optoelectronic applications as a computationally cheaper alternative to traditional TD-DFT methods.

Houssam Metni, Maria Kraus, Marie Louise Schubert, Marjan Krstic, Carsten Rockstuhl, Pascal Friederich2026-10-08
🔬 condensed matter

Polarized neutron diffraction with ex-situ 3^3He neutron spin filter and two-dimensional detector for noncollinear incommensurate magnetic order

This paper presents a novel experimental setup combining an ex-situ 3^3He neutron spin filter and a two-dimensional detector to overcome the limitations of traditional triple-axis spectrometers, successfully enabling the analysis of out-of-plane, noncollinear incommensurate magnetic orders in complex materials like Mn3_3WO6_6.

Shingo Takahashi, Yuta Osawa, Ryuju Kobayashi, Takashi Ino, Hiraku Saito, Takuro Kawasaki, Takayuki Oku, Tatsuya Nakamur (…)2026-10-08
🔬 condensed matter

Multiorbital Anisotropy and Magnetic Excitations in Trilayer Nickelate Pr4_4Ni3_3O10_{10}

By combining XAS and RIXS to study Pr4_4Ni3_3O10_{10}, researchers reveal that the material's multilayer architecture, rather than rare-earth substitution, is the primary determinant of its magnetic interactions and multiorbital electronic structure.

Ziqiang Guan, Sophia F. R. TenHuisen, Xuefei Guo, Wei He, Aulden K. Jones, Marli dos Reis Cantarino, Xinglong Chen, Hong (…)2026-10-08
🔬 materials science

Surface Physics of Low-Dimensional Pnictogen Chalcohalides and Its Impact on Photovoltaic Technologies

By combining first-principles calculations with device modeling, this study reveals that the coexistence of distinct crystal facets in low-dimensional pnictogen chalcohalides causes significant band-edge misalignment that drastically reduces open-circuit voltage, identifying surface orientation as a critical design parameter to bridge the gap between theoretical and experimental solar cell efficiencies.

Cibrán López, David Rovira, Álex Jiménez-Arguijo, Zacharie Jehl, Edgardo Saucedo, Claudio Cazorla2026-10-08