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Franck-Condon Overlap Integrals
29 May 2014 | Downloads | Contributor(s): Bryan M. Wong
Franck-Condon Overlap Integrals: calculates the vibrational overlap integral between two nuclear wavefunctions using the formalism developed by Sharp and Rosenstock [J. Chem. Phys., 41, 3453 (1964)].
IMA 2013 UQ: Bayesian Calibration of Molecular Dynamics Simulations for Composite Materials Properties
28 May 2014 | Online Presentations | Contributor(s): Paul N. Patrone
In this talk, I discuss ongoing research whose goal is to determine, via Bayesian inference, an ensemble of inputs that represents a class of commercially important amine-cured epoxies. We...
Is nanotechnology more Materials Science or Physics oriented?
Closed | Responses: 1
I want to pursue nanotechnology as a field of higher study. Would I be better off going for a Physics degree, or a Materials Science degree? As a bachelor’s student, are there any...
Marco Marín Suárez
0.0 out of 5 stars
06 Feb 2014 | Tools | Contributor(s): Martin Hunt, Lei Cao, Alejandro Strachan, Marisol Koslowski
A phase field approach to plastic deformation in nano crystalline materials
Resources for Materials Science and Engineering
Ab initio electronic structure simulation tools
:ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made...
A Python code for material composition lines - composition line utility
11 Sep 2013 | Downloads | Contributor(s): Amritanshu Palaria
In material science and chemical thermodynamics, phase diagrams play an important role. In composition-phase diagrams, compositions of the various components constitute, depending on how the...
[Illinois] American Vacuum Society (AVS) Prairie Chapter Symposium 2012
04 Jun 2013 | Workshops | Contributor(s): NanoBio Node
The focus for the 2012 AVS Prairie Chapter meeting is Materials for Energy.
17 Apr 2013 | Presentation Materials | Contributor(s): shaheen goel
the presentation gives a basic idea about the buckypaper and give breif details about the synthesis properties and applications of buckypaper
MSE 597GM Lecture 25: Transport in Rechargeable Batteries V
05 Dec 2012 | Online Presentations | Contributor(s): R. Edwin García
MSE 597GM Lecture 24: Transport in Rechargeable Batteries IV
MSE 597GM Lecture 23: Transport in Rechargeable Batteries III
04 Dec 2012 | Online Presentations | Contributor(s): R. Edwin García
MSE 597GM Project Feedback
28 Nov 2012 | Online Presentations | Contributor(s): R. Edwin García
MSE 597GM Lecture 22: Transport in Rechargeable Batteries II
[Illinois] CSE Seminar Series: Advances in First-principles Computational Materials Science
20 Nov 2012 | Online Presentations | Contributor(s): Elif Ertekin
Title: Advances in first-principles computational materials science
Subtitle: Things we can calculate now, that we couldn't when I was in grad school.
The capability to rationally design new...
MSE 597GM Lecture 21: Transport in Rechargeable Batteries I
17 Nov 2012 | Online Presentations | Contributor(s): R. Edwin García