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- Computational Nanoscience, Lecture 19: Band Structure and Some In-Class Simulation: DFT for Solids
- Coarse Grain Lipid Simulator
- Perl Book
- MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate
- BioMOCA Demo
- Analytic Spin Precession Simulator
- Active Media FDTD Nanophotonic Device Simulator
- Computational Nanoscience, Lecture 18: Density Functional Theory and some Solid Modeling
SIESTA (Spanish Initiative for Electronic Structure Simulations with Thousands of Atoms) is a fast electronic structure program that uses a local basis set. It can produce band structures and minimum energy geometries, and can perform first-principles molecular dynamics calculations. This tool allows general-purpose computations to be done on nanoHUB’s servers.
Researchers should cite this work as follows: