Level-set minimization of potential controlled Hadwiger valuations for molecular solvation

DOI10.1016/J.JCP.2010.07.032zbMath1202.82001OpenAlexW1968889142WikidataQ35740718 ScholiaQ35740718MaRDI QIDQ602950

Li-Tien Cheng, Zhongming Wang, Bo Li

Publication date: 5 November 2010

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: http://europepmc.org/articles/pmc3273873

zbMATH Keywords

mean curvaturelevel-set methodGaussian curvatureHadwiger valuationsmolecular solvationnormal velocitythe Lennard-Jones potential

Mathematics Subject Classification ID

Statistical mechanics of solids (82D20)

Related Items (6)

Numerical treatment of Stokes solvent flow and solute-solvent interfacial dynamics for nonpolar molecules ⋮ Diffused Solute-Solvent Interface with Poisson--Boltzmann Electrostatics: Free-Energy Variation and Sharp-Interface Limit ⋮ Binary Level Set Method for Variational Implicit Solvation Model ⋮ Numerical methods for solvent Stokes flow and solute-solvent interfacial dynamics of charged molecules ⋮ A Generalized Rayleigh--Plesset Equation for Ions with Solvent Fluctuations ⋮ Explicit-solute implicit-solvent molecular simulation with binary level-set, adaptive-mobility, and GPU

Cites Work

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• Level set methods and dynamic implicit surfaces
• Redistancing by flow of time dependent eikonal equation
• A proof that a discrete delta function is second-order accurate
• The numerical approximation of a delta function with application to level set methods

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