Tags: molecular simulations
Resources
Tools
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9.8 Ranking Ringgenberg: Berkeley Computational Nanoscience ...
Berkeley Computational Nanoscience Class Tools
Type Tools Contributor(s) Joe Ringgenberg, daniel richards, Elif Ertekin, Jeffrey C Grossman Date 24 Jan. 2008 Avg. Rating (13) Rate this Tools for UC Berkeley Computational Nanoscience course, Spring 2008
- 6.9 Ranking Tejerina: UV/Vis Spectra simulator
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6.3 Ranking Papke: BioMOCA Suite
BioMOCA Suite
Type Tools Contributor(s) David Papke, Reza Toghraee, Umberto Ravaioli Date 14 Feb. 2008 Avg. Rating (0) Rate this Simulates ion flow through a channel.
- 5.1 Ranking Tejerina: Theoretical Electron Density ...
Online Presentations
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6.4 Ranking Go: Microscale Ionic Wind for Local ...
Microscale Ionic Wind for Local Cooling Enhancement
Type Online Presentations Contributor(s) David B Go Date 26 Oct. 2007 Avg. Rating (0) Rate this As the electronics industry continues to develop small, highly functional, mobile devices, new methods of cooling are required to manage the thermal requirements of the not only the chip but the entire system. Comfortable skin temperatures, small form factors, and limited power ...
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6.0 Ranking Jakobsson: Computing the Horribleness of Soft ...
Computing the Horribleness of Soft Condensed Matter
Type Online Presentations Contributor(s) Eric Jakobsson Date 19 Oct. 2007 Avg. Rating (1) Rate this A great triumph of computer simulations 40 years ago was to make the liquid state of matter understandable in terms of physical interactions between individual molecules. Prior to the first simulations of liquid argon and liquid water in the 1960's, there was no quantitatively rigorous ...
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5.9 Ranking Prezhdo: Dynamics on the Nanoscale: ...
Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces
Type Online Presentations Contributor(s) Oleg Prezhdo, NCN SLC@Northwestern Date 01 Feb. 2008 Avg. Rating (0) Rate this Device miniaturization requires an understanding of the dynamical response of materials on the nanometer scale. A great deal of experimental and theoretical work has been devoted to characterizing the excitation, charge, spin, and vibrational dynamics in a variety of novel materials, including ...
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5.2 Ranking Murthy: BNC Annual Research Review: An ...
BNC Annual Research Review: An Introduction to PRISM and MEMS Simulation
Type Online Presentations Contributor(s) Jayathi Murthy Date 04 Jun. 2008 Avg. Rating (0) Rate this This presentation is part of a collection of presentations describing the projects, people, and capabilities enhanced by research performed in the Birck Center, and a look at plans for the upcoming year.
Teaching Materials
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10.0 Ranking Grossman: Computational Nanoscience, Lecture ...
Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing
Type Teaching Materials Contributor(s) Jeffrey C Grossman, Elif Ertekin Date 13 Feb. 2008 Avg. Rating (1) Rate this In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the importance of the starting guess and how to find or generate good initial structures. We also briefly ...
Publications
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4.5 Ranking Papke: Practical Introduction to the ...
Practical Introduction to the BioMOCA Suite
Type Publications Contributor(s) David Papke Date 23 Apr. 2008 Avg. Rating (0) Rate this In this presentation, I describe how to use the online BioMOCA Suite. I explain how to prepare the .pqr input protein structure from a .pdb structure. I then explain in detail how to use each of the four subtools in the BioMOCA Suite. I do not cover in detail how the BioMOCA code works. If you ...
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Related Topic Pages
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