New applications of integral equations methods for solvation continuum models: Ionic solutions and liquid crystals
From MaRDI portal
Publication:1265803
DOI10.1023/A:1019133611148zbMath0905.65123MaRDI QIDQ1265803
Benedetta Mennucci, Eric Cancès
Publication date: 2 February 1999
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Statistical mechanics of random media, disordered materials (including liquid crystals and spin glasses) (82D30) PDEs in connection with quantum mechanics (35Q40) Applications to the sciences (65Z05) Molecular physics (81V55) Boundary element methods for boundary value problems involving PDEs (65N38)
Related Items
On autonomy imposition in zero interval limit perturbation expansion for the spectral entities of Hilbert-Schmidt integral operators ⋮ A fast direct solver for nonlocal operators in wavelet coordinates ⋮ INTEGRAL EQUATION METHODS FOR MOLECULAR SCALE CALCULATIONS IN THE LIQUID PHASE ⋮ A domain decomposition method for the polarizable continuum model based on the solvent excluded surface ⋮ Zero interval limit perturbation expansion for the spectral entities of Hilbert-Schmidt operators combined with most dominant spectral component extraction: formulation and certain technicalities ⋮ Zero interval limit perturbation expansion for the spectral entities of Hilbert-Schmidt operators combined with most dominant spectral component extraction: convergence and confirmative implementations ⋮ Optimal control for semilinear integrodifferential evolution equations in Banach spaces ⋮ Wavelet BEM on molecular surfaces: solvent excluded surfaces ⋮ On analytical derivatives for geometry optimization in the polarizable continuum model ⋮ A Domain Decomposition Method for the Poisson--Boltzmann Solvation Models ⋮ Wavelet BEM on molecular surfaces: parametrization and implementation
Uses Software