Computational Nanoscience, Lecture 5: A Day of In-Class Simulation: MD of Carbon Nanostructures
- Computational Nanoscience, Lecture 12: In-Class Simulation of Ising Model
- MIT Atomic Scale Modeling Toolkit
- Illinois Solid State Electronic Devices Classes Tools
- Computational Nanoscience, Lecture 15: In-Class Simulations: Hartree-Fock
- MD Simulation
- Lecture 10: Non Equilibrium MD
- Computational Nanoscience, Lecture 19: Band Structure and Some In-Class Simulation: DFT for Solids
In this lecture we carry out simulations in-class, with guidance from the instructors. We use the LAMMPS tool (within the nanoHUB simulation toolkit for this course). Examples include calculating the energy per atom of different fullerenes and nantubes, computing the Young's modulus of a nanotube with and without a Stone-Wales defect, and examining the effects of temperature.
University of California, Berkeley
Researchers should cite this work as follows:
Jeffrey C Grossman; Elif Ertekin (2008), "Computational Nanoscience, Lecture 5: A Day of In-Class Simulation: MD of Carbon Nanostructures," https://nanohub.org/resources/4037.