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Rajesh Jha
https://nanohub.org/members/94783
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Radha Krishnan
https://nanohub.org/members/92862
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Sai Kiranmayee Samudrala
Kiran is a post-doc from Georgia Tech. She obtained her PhD from Iowa State University. She focuses on building computational models with research interests in applied mathematics (Differential...
https://nanohub.org/members/90088
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Majid Mortazavi
https://nanohub.org/members/89172
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Luis José Yudico Anaya
Mathematician
https://nanohub.org/members/82556
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[Illinois] Molecular and Multiscale Simulation Summer School
Series | 08 May 2013 | Contributor(s):: NanoBio Node
This Summer School will train students in molecular simulation and simulation at multiple time and length scales. Instruction will be provided on quantum Monte Carlo simulation, molecular dynamics, coarse-grained simulations, and multiscale simulations with opportunities for hands-on experience...
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Stefan Badescu
https://nanohub.org/members/79818
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Polymatic: A Simulated Polymerization Algorithm
Downloads | 26 Mar 2013 | Contributor(s):: Lauren Abbott, Coray Colina
Polymatic is a set of codes for structure generation of amorphous polymers by a simulated polymerization algorithm. The main task of Polymatic is to perform polymerization steps within a system based on a number of defined bonding criteria. It works in conjunction with a simulation package to...
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ECE 595E Numerical Simulations for Energy Applications
Courses | 17 Jan 2013 | Contributor(s):: Peter Bermel
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Jingtian Fang
Huazhong University of Science & Technology 09/2007-06/2012Bachelor Degree of EngineeringMaterials Processing & control
https://nanohub.org/members/73585
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[Illinois] CSE Seminar Series: Advances in First-principles Computational Materials Science
Online Presentations | 20 Nov 2012 | 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 materials with tailored properties and functionality on a computer remains a grand challenge whose...
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Nicolas Torres
https://nanohub.org/members/68656
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Application-driven Co-Design: Using Proxy Apps in the ASCR Materials Co-Design Center
Online Presentations | 31 May 2012 | Contributor(s):: Jim Belak
Computational materials science is performed with a suite of applications that span the quantum mechanics of interatomic bonding to the continuum mechanics of engineering problems and phenomenon specific models in between. In this talk, we will review this suite and the motifs used in each of the...
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Johann Akré
https://nanohub.org/members/62622
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Dierk Raabe
PROFESSIONAL SKETCHPROF. DIERK RAABEDepartment of Microstructure Physics and Alloy DesignMax-Planck-Institut fuer EisenforschungFax: ++49 –(0)211-6792-278E-mail: d.raabe@mpie.dewww.mpie.de- - - -...
https://nanohub.org/members/58719
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Nirpendra Singh
https://nanohub.org/members/58636
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nanoMATERIALS nanoscale heat transport
Tools | 03 Nov 2010 | Contributor(s):: Keng-Hua Lin, Sean Sullivan, Mathew Joseph Cherukara, Alejandro Strachan, Tianli Feng, Xiulin Ruan, Bo Qiu
Non-equilibrium MD simulations of heat transport in nano-materials
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MiniMol: Minimal Molecular Simulation Tool
Tools | 18 Mar 2011 | Contributor(s):: Ellad B Tadmor, Ron Earle Miller, Ryan S Elliott
Perform simple molecular dynamics and statics simulations.
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Chandra Veer Singh
https://nanohub.org/members/56131
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Molecular dynamics simulations of materials
Wiki
What is MD?
Molecular dynamics involves the numerical solution of the classical equations of motion (F=ma) for every single atom in material. The result is a very detailed description of the...
https://nanohub.org/wiki/MD