[PDF][PDF] Open materials 2024 (omat24) inorganic materials dataset and models

L Barroso-Luque, M Shuaibi, X Fu, BM Wood… - arxiv preprint arxiv …, 2024 - rivista.ai
Date: October 18, 2024 Correspondence: L. Barroso-Luque (lbluque@ meta. com), CL
Zitnick (zitnick@ meta. com), Z. Ulissi (zulissi@ meta. com) Code: https://github. com/FAIR …

The Evolution of Machine Learning Potentials for Molecules, Reactions and Materials

J **a, Y Zhang, B Jiang - arxiv preprint arxiv:2502.07335, 2025 - arxiv.org
Recent years have witnessed the fast development of machine learning potentials (MLPs)
and their widespread applications in chemistry, physics, and material science. By fitting …

Deep learning of spectra: Predicting the dielectric function of semiconductors

M Grunert, M Großmann, E Runge - Physical Review Materials, 2024 - APS
Predicting spectra and related properties such as the dielectric function of crystalline
materials based on machine learning has a huge, hitherto unexplored, technological …

Kolmogorov–Arnold Network Made Learning Physics Laws Simple

Y Wu, T Su, B Du, S Hu, J **ong… - The Journal of Physical …, 2024 - ACS Publications
In recent years, contrastive learning has gained widespread adoption in machine learning
applications to physical systems primarily due to its distinctive cross-modal capabilities and …

[HTML][HTML] Environmental exposures related to gut microbiota among children with asthma: a pioneer study in Taiwan

AK Asri, T Liu, HJ Tsai, JY Wang, CD Wu - … and Environmental Safety, 2025 - Elsevier
Gut microbiota plays a crucial role in human health and can be influenced by environmental
factors. While past studies have examined the impact of the environment on gut microbiota …

Exploring the structural basis of crystals that affect nonlinear optical responses: an experimental and machine learning quest

AU Hassan, C Güleryüz, IH El Azab, AY Elnaggar… - Optical Materials, 2025 - Elsevier
Abstract Machine learning can enable a computational framework to learn from data,
thereby enhancing decision-making for targeted properties. Based on the significance of …

Learning Smooth and Expressive Interatomic Potentials for Physical Property Prediction

X Fu, BM Wood, L Barroso-Luque, DS Levine… - arxiv preprint arxiv …, 2025 - arxiv.org
Machine learning interatomic potentials (MLIPs) have become increasingly effective at
approximating quantum mechanical calculations at a fraction of the computational cost …

Application of pretrained universal machine-learning interatomic potential for physicochemical simulation of liquid electrolytes in Li-ion battery

S Ju, J You, G Kim, Y Park, H An, S Han - arxiv preprint arxiv:2501.05211, 2025 - arxiv.org
Achieving higher operational voltages, faster charging, and broader temperature ranges for
Li-ion batteries necessitates advancements in electrolyte engineering. However, the …

Universal Machine Learning Interatomic Potentials are Ready for Phonons

A Loew, D Sun, HC Wang, S Botti… - arxiv preprint arxiv …, 2024 - arxiv.org
There has been an ongoing race for the past couple of years to develop the best universal
machine learning interatomic potential. This rapid growth has driven researchers to create …

Taming Multi-Domain,-Fidelity Data: Towards Foundation Models for Atomistic Scale Simulations

T Shiota, K Ishihara, TM Do, T Mori… - arxiv preprint arxiv …, 2024 - arxiv.org
Machine learning interatomic potentials (MLIPs) are changing atomistic simulations in
chemistry and materials science. Yet, building a single, universal MLIP--capable of …