Molecular modeling and simulation. An interdisciplinary guide.

From MaRDI portal
Publication:971781

DOI10.1007/978-1-4419-6351-2zbMath1320.92007OpenAlexW1566694705MaRDI QIDQ971781

Tamar Schlick

Publication date: 17 May 2010

Published in: Interdisciplinary Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/978-1-4419-6351-2




Related Items (34)

A discrete element and ray framework for rapid simulation of acoustical dispersion of microscale particulate agglomerationsNonparametric Bayesian methods for one-dimensional diffusion modelsOn the dynamics of charged electromagnetic particulate jetsNeural Parametric Fokker--Planck EquationA semi-infinite edge dislocation model for the proportionality limit stress of metals under high strain rateElectrodynamic machine-learning-enhanced fault-tolerance of robotic free-form printing of complex mixturesA treecode based on barycentric Hermite interpolation for electrostatic particle interactionsA fast mollified impulse method for biomolecular atomistic simulationsTemporal multiscale approach for nanocarrier motion with simultaneous adhesion and hydrodynamic interactions in targeted drug deliveryVariationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theoryLangevin dynamics simulation with dipole-dipole interactions: massive performance improvements and advanced analytical integratorSolving a generalized distance geometry problem for protein structure determinationAn adaptive fast multipole method in Cartesian basis, enabled by algorithmic differentiationAnalysis and optimization of weighted ensemble samplingSymmetric, explicit numerical integrator for molecular dynamics equations of motion with a generalized frictionMotion planning algorithms for molecular simulations: a surveyA direct filter method for parameter estimationRandom batch methods (RBM) for interacting particle systemsParameter Estimation for Partially Observed Hypoelliptic DiffusionsRigid versus unique determination of protein structures with geometric buildupThe unicellular microorganisms "Amoeba Proteus" locomotion simulation with the use of movable cellular automata methodA Time-Domain Preconditioner for the Helmholtz EquationObservation-based correction of dynamical models using thermostatsDynamics of clusters of charged particulates in electromagnetic fieldsA two-dimensional peridynamic model for thin platesA power series potential energy function with adjustable indexDiffusion Parameter Estimation for the Homogenized EquationExtra chance generalized hybrid Monte CarloA Mathematical Framework for Exact MilestoningSymplectic Runge--Kutta Schemes for Adjoint Equations, Automatic Differentiation, Optimal Control, and MoreLaser-induced heating of dynamic particulate depositions in additive manufacturingOn preconditioning the treecode-accelerated boundary integral (TABI) Poisson-Boltzmann solverA derivation of the Liouville equation for hard particle dynamics with non-conservative interactionsThe molecular dynamics study of vacancy defect influence on carbon nanotube performance as drug delivery system




This page was built for publication: Molecular modeling and simulation. An interdisciplinary guide.