Demonstrating the Transferability and the Descriptive Power of Sketch-Map.
about
Topological obstructions in the way of data-driven collective variables.Modeling and enhanced sampling of molecular systems with smooth and nonlinear data-driven collective variables.Visualizing energy landscapes with metric disconnectivity graphsElectrolytes induce long-range orientational order and free energy changes in the H-bond network of bulk waterMapping and classifying molecules from a high-throughput structural database.Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution.Charting molecular free-energy landscapes with an atlas of collective variables.Machine learning unifies the modeling of materials and molecules.Representations in neural network based empirical potentials.Machine learning for the structure-energy-property landscapes of molecular crystals.The interaction with gold suppresses fiber-like conformations of the amyloid β (16–22) peptideChemical shifts in molecular solids by machine learning
P2860
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P2860
Demonstrating the Transferability and the Descriptive Power of Sketch-Map.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Demonstrating the Transferability and the Descriptive Power of Sketch-Map.
@en
type
label
Demonstrating the Transferability and the Descriptive Power of Sketch-Map.
@en
prefLabel
Demonstrating the Transferability and the Descriptive Power of Sketch-Map.
@en
P356
P1476
Demonstrating the Transferability and the Descriptive Power of Sketch-Map.
@en
P2093
Gareth A Tribello
Michele Parrinello
P304
P356
10.1021/CT3010563
P577
2013-02-22T00:00:00Z