Lv7
3930 积分 2024-11-21 加入
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
1个月前
已完结
A Combinatorial Approach to Materials Discovery
2个月前
已完结
First‐Principles Density Functional Theory and Machine Learning Technique for the Prediction of Water Adsorption Site on PtPd‐Based High‐Entropy‐Alloy Catalysts
2个月前
已完结
Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics
2个月前
已完结
Surface steric effect in heterogeneous catalysis as the origin of the high activity induced by strong metal-support interactions
2个月前
已完结
Field Effects at Protruding Defect Sites in Electrocatalysis at Metal Electrodes?
2个月前
已完结
Recovering hidden degrees of freedom using Gaussian processes
2个月前
已完结
Capturing Dynamic Core Reconstruction and Ligand Desorption of Atomically Precise Ag Nanoclusters with Machine Learning Force Field
2个月前
已完结
Accelerating the prediction of stable materials with machine learning
2个月前
已完结
Machine-learned potentials for next-generation matter simulations
2个月前
已完结
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