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[PDF][PDF] Open materials 2024 (omat24) inorganic materials dataset and models
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 …
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
Recent years have witnessed the fast development of machine learning potentials (MLPs)
and their widespread applications in chemistry, physics, and material science. By fitting …
and their widespread applications in chemistry, physics, and material science. By fitting …
Deep learning of spectra: Predicting the dielectric function of semiconductors
Predicting spectra and related properties such as the dielectric function of crystalline
materials based on machine learning has a huge, hitherto unexplored, technological …
materials based on machine learning has a huge, hitherto unexplored, technological …
Kolmogorov–Arnold Network Made Learning Physics Laws Simple
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 …
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
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 …
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
Abstract Machine learning can enable a computational framework to learn from data,
thereby enhancing decision-making for targeted properties. Based on the significance of …
thereby enhancing decision-making for targeted properties. Based on the significance of …
Learning Smooth and Expressive Interatomic Potentials for Physical Property Prediction
Machine learning interatomic potentials (MLIPs) have become increasingly effective at
approximating quantum mechanical calculations at a fraction of the computational cost …
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
Achieving higher operational voltages, faster charging, and broader temperature ranges for
Li-ion batteries necessitates advancements in electrolyte engineering. However, the …
Li-ion batteries necessitates advancements in electrolyte engineering. However, the …
Universal Machine Learning Interatomic Potentials are Ready for Phonons
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 …
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 …
chemistry and materials science. Yet, building a single, universal MLIP--capable of …