Computational Chemistry Grid

#	Item
21	The Schrodinger equation in discretized real space Example of grid-based method for 2D and 3D problems Add to Reading List Source URL: physics.bu.edu Language: English - Date: 2013-10-17 09:20:56 Quantum chemistry Operator theory Computational chemistry Singular value decomposition Eigenvalues and eigenvectors Tight binding Schrödinger equation Hamiltonian Matrix Physics Algebra Quantum mechanics
22	Two and three dimensional problems Grid-based methods are very time consuming Ø  number of grid points proportional to Ld Add to Reading List Source URL: physics.bu.edu Language: English - Date: 2013-10-17 09:20:48 Computational chemistry Abstract algebra Quantum chemistry Theoretical chemistry Schrödinger equation Eigenvalues and eigenvectors Diagonalizable matrix Matrix Variational method Algebra Mathematics Linear algebra
23	PDF Document Add to Reading List Source URL: fightaidsathome.scripps.edu Language: English - Date: 2007-05-10 19:43:47 Drug discovery Molecular modelling HIV/AIDS Bioinformatics Computational chemistry FightAIDS@Home AutoDock World Community Grid Virtual screening Chemistry Biology Science