-
THERMAL CNT
Tools | 23 May 2017 | Contributor(s):: Luca Bergamasco, Matteo Fasano, Eliodoro Chiavazzo, Pietro Asinari, Annalisa Cardellini, Matteo Morciano
Compute thermal conductivity of single-walled carbon nano-tubes via NEMD method
-
MSE 498: Computational Materials Science and Engineering
Courses | 29 Mar 2015 | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g.,...
-
MSE 498 Lesson 1: CMSE
Online Presentations | 13 Mar 2015 | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
-
Coarse Grain Lipid Simulator
Tools | 31 Jul 2008 | Contributor(s):: Baudilio Tejerina, Elizabeth Brezinski, Martin McCullagh, George C. Schatz
CGLS is a tool intended to aid in the modeling, construction and analysis of lipid systems.
-
Forced Protein Unfolding
Tools | 01 Jun 2009 | Contributor(s):: Ashlie Martini, Benjamin Rafferty, Zachary Carl Flohr
Molecular dynamics simulation of forced protein unfolding
-
Illinois Tools: NanoGromacs_Intro
Tools | 07 May 2008 | Contributor(s):: Dairui Chen, Jay Mashl, Nahil Sobh, Eric Jakobsson
Implementation of the popular molecular dynamics software suite GROMACS
-
Tutorial for NanogromacsSenior
Online Presentations | 28 Apr 2008 | Contributor(s):: Dairui Chen
-
Illinois Tools: NanoGromacs
Tools | 27 Feb 2008 | Contributor(s):: Dairui Chen, Derrick Kearney, Jay Mashl, Nahil Sobh, Eric Jakobsson
Implementation of the popular molecular dynamics software suite GROMACS
-
Hydrophobicity Lab
Tools | 24 Jul 2006 | Contributor(s):: Eric Darve, Artit Wangperawong, Kazutora Hayashida
Study hydrophobicity and how Lennard Jones particles cluster in a polar solvent