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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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81
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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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61
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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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32
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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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44
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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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72
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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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69
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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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50
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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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52
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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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43
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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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34
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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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47
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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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35
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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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63
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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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129
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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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56
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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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38
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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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47
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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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46
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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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47
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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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51
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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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36
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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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56
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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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22
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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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98
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December 17, 2024
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Machine learning enabled fast optical identification and characterization of 2D materials
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0
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28
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December 17, 2024
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Chemtrain: Learning Deep Potential Models via Automatic Differentiation and Statistical Physics
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0
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37
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December 17, 2024
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Crab shell-based hierarchical micro/meso-porous carbon as an efficient nano-adsorbent for CO2/CH4 separation: experiments and DFT modeling
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0
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46
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December 17, 2024
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Excited state dynamics unlock potential for organics LEDs and bioimaging
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0
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21
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December 17, 2024
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Simulation sheds light on Earth's magnetic field generation while advancing neuromorphic computing
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0
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40
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December 17, 2024
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2D materials boost p-type transistor performance, paving way for future tech
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0
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38
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December 17, 2024
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