Computational Nanoscience, Lecture 27: Simulating Water and Examples in Computational Biology
Recommendations
- Computational Nanoscience, Lecture 1: Introduction to Computational Nanoscience
- Computational Nanoscience, Lecture 2: Introduction to Molecular Dynamics
- Computational Nanoscience, Lecture 13: Introduction to Computational Quantum Mechanics
- Computational Nanoscience for Energy
- Computational Nanoscience, Homework Assignment 3: Molecular Dynamics Simulation of Carbon Nanotubes
- Computational Nanoscience, Lecture 8: Monte Carlo Simulation Part II
- Computational Nanoscience, Lecture 18: Density Functional Theory and some Solid Modeling
- Computational Nanoscience, Lecture 7: Monte Carlo Simulation Part I
- Computational Nanoscience, Lecture 21: Quantum Monte Carlo, part II
- Computational Nanoscience, Lecture 3: Computing Physical Properties
Category
Published on
Abstract
In this lecture, we describe the challenges in simulating water and introduce both explicit and implicit approaches. We also briefly describe protein structure, the Levinthal paradox, and simulations of proteins and protein structure using First Principles approaches and Monte Carlo sampling.
Credits
Cite this work
Researchers should cite this work as follows:
-
Elif Ertekin; Jeffrey C Grossman (2008), "Computational Nanoscience, Lecture 27: Simulating Water and Examples in Computational Biology," https://nanohub.org/resources/4576.