Ewald summation

Results: 9



#Item
1Computational chemistry / Molecular modelling / Intermolecular forces / Computational physics / Theoretical chemistry / Molecular dynamics / Ewald summation / Particle Mesh / Van der Waals force / Molecular mechanics

Computational Science and Engineering (Int. Master’s Program) Technische Universität München Master’s Thesis

Add to Reading List

Source URL: www5.in.tum.de

Language: English
2Mathematical analysis / Complex analysis / Mathematical series / Numerical analysis / Computational chemistry / Theoretical chemistry / Taylor series / Logarithm / Ewald summation / Integral / Spectral method / Series

Lecture Notes: Invitation to Numerical Analysis Homer Reid February 4, 2014 Suppose you’re a material scientist. (Or a physicist, or a chemist, or a biologist, or an electrical engineer, or a structural engineer

Add to Reading List

Source URL: homerreid.dyndns.org

Language: English - Date: 2015-10-27 00:54:56
3Mathematical analysis / Fourier analysis / Joseph Fourier / Integral transforms / Mathematical physics / Generalized functions / Fourier transform / Error function / Ewald summation / Poisson summation formula / Series / Fourier series

Lecture Notes: Ewald Summation Homer Reid April 10,

Add to Reading List

Source URL: homerreid.dyndns.org

Language: English - Date: 2015-10-27 00:54:41
4Molecular modelling / Molecular dynamics / Intermolecular forces / Molecular physics / Ewald summation / GROMACS / Anton / Periodic boundary conditions / NAMD / Chemistry / Science / Computational chemistry

2798 J. Chem. Theory Comput. 2009, 5, 2798–2808 Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer

Add to Reading List

Source URL: bioenergycenter.org

Language: English - Date: 2010-03-03 10:22:16
5Computational physics / Computational chemistry / Linear algebra / Abstract algebra / Fourier analysis / Ewald summation / Molecular dynamics / Matrix / Fast Fourier transform / Algebra / Mathematics / Mathematical analysis

Large-Scale Hydrodynamic Brownian Simulations on Multicore and Manycore Architectures Xing Liu Edmond Chow

Add to Reading List

Source URL: www.cc.gatech.edu

Language: English - Date: 2014-02-15 13:36:19
6Theoretical chemistry / Multigrid method / Numerical analysis / Force field / Ewald summation / Implicit solvation / Ab initio quantum chemistry methods / Density functional theory / AMBER / Chemistry / Computational chemistry / Molecular modelling

Tools and Methods for Multiscale Biomolecular Simulations Celeste Sagui Department of Physics, NC State University, Raleigh, NC Outline

Add to Reading List

Source URL: www.mcc.uiuc.edu

Language: English - Date: 2011-12-30 23:13:08
7Crystal / Molecular dynamics / Ewald summation / Relaxation / Chemistry / Computational chemistry / Theoretical chemistry

THE JOURNAL OF CHEMICAL PHYSICS 122, 094508 共2005兲 Application of the Wolf damped Coulomb method to simulations of SiC

Add to Reading List

Source URL: www.imslab.rutgers.edu

Language: English - Date: 2006-08-28 09:49:58
8Electromagnetism / Molecular modelling / Potential theory / Theoretical chemistry / Molecular dynamics / Ewald summation / Electric potential energy / Crystal / Energy drift / Chemistry / Physics / Computational chemistry

Molecular Simulation, Vol. 31, No. 11, 15 September 2005, 739–748 Modified Wolf electrostatic summation: Incorporating

Add to Reading List

Source URL: www.imslab.rutgers.edu

Language: English - Date: 2006-08-28 09:50:15
9Electromagnetism / Mathematical analysis / Crystallography / Diffraction / Reciprocal lattice / Dipole / Electronic band structure / Paul Peter Ewald / Ewald summation / Physics / Chemistry / Fourier analysis

Ewald P P. Evaluation of optical and electrostatic lattice potentials. Ann. Phys. Leipzig 64:253-87, 1921.

Add to Reading List

Source URL: www.garfield.library.upenn.edu

Language: English - Date: 2003-09-05 18:05:28
UPDATE