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ReX2 IR/RAMAN Spectroscopy
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1
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30
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February 11, 2025
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Non-equilibrium calculations
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1
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39
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February 11, 2025
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Machine learning speeds up prediction of materials' spectral properties
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0
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235
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December 27, 2024
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New material for sodium-ion batteries brings affordable, sustainable future within grasp
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0
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90
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December 23, 2024
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Researchers take 'significant leap forward' with quantum simulation of molecular electron transfer
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0
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73
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December 23, 2024
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Neural networks unlock potential of high-entropy carbonitrides in extreme environments
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0
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84
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December 23, 2024
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Machine learning helps researchers develop perovskite solar cells with near-record efficiency
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0
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22
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December 20, 2024
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Development of a Helmholtz free energy equation of state for fluid and solid phases via artificial neural networks
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0
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16
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December 20, 2024
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New model find molecular interactions key to creating order in active systems
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0
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10
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December 20, 2024
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Active particles reorganize 3D gels into denser porous structures, study shows
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0
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9
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December 20, 2024
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Hugging Face and Entalpic Unveil LeMaterial: Transforming Materials Science Through AI
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0
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20
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December 20, 2024
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Predicting emergence of crystals from amorphous precursors with deep learning potentials
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0
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18
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December 19, 2024
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Layer by layer: How simulations help manufacturing of modern displays
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0
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6
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December 19, 2024
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Nonlinear 'skin effect' unveiled in antiferromagnetic materials
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0
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11
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December 19, 2024
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Faster way to calculate electron structure makes it easier to discover new materials
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0
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13
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December 19, 2024
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Turning Coal into Valuable Material for Electric Vehicle Batteries
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0
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8
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December 19, 2024
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Adsorption performance of g-C3N4/graphene, and MIL-101(Fe)/graphene for the removal of pharmaceutical contaminants: a molecular dynamics simulation study
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0
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10
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December 19, 2024
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Experimental and molecular dynamics study on combustion characteristics of non-stick coal
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0
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3
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December 19, 2024
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Deep reinforcement learning for inverse inorganic materials design
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0
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15
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December 19, 2024
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Data extraction from polymer literature using large language models
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0
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50
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December 19, 2024
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Solvent-responsive covalent organic framework membranes for precise and tunable molecular sieving
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0
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8
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December 19, 2024
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Molecules of the year 2024
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0
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7
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December 18, 2024
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Molecular dynamics simulations reveal concentration-dependent blockage of graphene quantum dots to water channel protein openings
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0
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13
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December 18, 2024
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Impact of pressure on perovskite MSnX3 (M = Li, Na; X = Cl, Br, I): A density functional theory study
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0
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8
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December 18, 2024
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A density functional theory study of a series of symmetric dibenzylideneacetone analogues as potential chemical UV-filters
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0
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16
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December 18, 2024
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The Puzzle of Radiation-Resistant Alloys
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0
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6
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December 18, 2024
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ORNL researchers translate foundational uranium science into active nonproliferation solutions
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0
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6
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December 18, 2024
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Convolutional network learning of self-consistent electron density via grid-projected atomic fingerprints
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0
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12
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December 17, 2024
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Cerebras Sets New World Record in Molecular Dynamics at 1.1 Million Simulations per Second — 748x Faster than the World’s #1 Supercomputer ‘Frontier’
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0
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7
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December 17, 2024
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MIT Researchers Introduce Generative Modeling of Molecular Dynamics: A Multi-Task AI Framework for Accelerating Molecular Simulations and Design
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0
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29
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December 17, 2024
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