MIT Atomic-Scale Modeling Toolkit
15 Jan 2008 | | Contributor(s):: daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley, Enrique Guerrero
Tools for Atomic-Scale Modeling
Stories from the NNI: A Platform to Share Nano Simulation Tools - A Conversation with Gerhard Klimeck
13 Jan 2020 | | Contributor(s):: Gerhard Klimeck, Lisa Friedersdorf
In this episode of Stories from the NNI, Lisa Friedersdorf, Director of the National Nanotechnology Coordination Office, speaks with Gerhard Klimeck, Professor of Electrical and Computer Engineering at Purdue University and Director of nanoHUB, about an online platform that shares modeling and...
Citrine Tools for Materials Informatics
02 Dec 2019 | | Contributor(s):: Juan Carlos Verduzco Gastelum, Alejandro Strachan
Jupyter notebooks for sequential learning in the context of materials design. Run your own models, explore various methods and adapt the notebooks to your needs.
Adolfo Catral Sanabria
Feb 25 2019
Software Productivity and Sustainability for CSE and Data Science
Oct 03 2018
Frontiers In Education (FIE) 2018 Conference
Ivan C. Christov
Lorena A Barba
Sep 02 2015
18th International Workshop on Computational Electronics
ab initio simulations with ORCA
28 Jul 2015 | | Contributor(s):: nicolas onofrio, Alejandro Strachan
ab initio and density functional theory calculations dedicated to molecular systems
MSE 498: Computational Materials Science and Engineering
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.,...
Mar 27 2015
Computational Science and Engineering Student Conference at Purdue University
International HPC Summer School 2013
30 Jul 2013 |
The U.S. National Science Foundation's Extreme Science and Engineering Discovery Environment (XSEDE) project, the European Union Seventh Framework Program's Partnership for Advanced Computing in Europe (PRACE), and RIKEN Advanced Institute for Computational Science (AICS) have collaborated to...
ECE 595E Numerical Simulations for Energy Applications
17 Jan 2013 | | Contributor(s):: Peter Bermel