A Python code for material composition lines - composition line utility
11 Sep 2013 | 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 composition may change, one or more axes of the diagram. In the sub-space formed by only the composition...
A MATLAB code for Hartree Fock calculation of H-H ground state bondlength and energy using STO-4G
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08 Aug 2006 | Downloads | Contributor(s): Amritanshu Palaria
Hartree Fock (HF) theory is one of the basic theories underlying the current understanding of the electronic structure of materials. It is a simple non-relativistic treatment of many electron system that accounts for the antisymmetric (fermion) nature of electronic wavefunction but does not...
nano-Materials Simulation Toolkit
08 Aug 2006 | Tools | Contributor(s): Alejandro Strachan, Amritanshu Palaria, Ya Zhou, Janam Jhaveri
Molecular Dynamics simulations of nano-materials
13 May 2004 | Tools | Contributor(s): Amritanshu Palaria, Xufeng Wang, Benjamin P Haley, Matteo Mannino, Gerhard Klimeck
Run the community code ABINIT for electronic structure calculations under density functional theory through a convenient graphical user interface
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Network for Computational Nanotechnology (NCN) is a National Science Foundation (NSF) gateway and research network with a mission to enable education and research in nanoscience for nanotechnology applications. NCN currently focuses on nanoelectronics, nanoelectromechanics, nanomaterials,...
NCN@Purdue student seminar series
The NCN@Purdue student seminar series provides a platform for students to present their research and get feedback from fellow NCN students. This is an excellent opportunity for the presenter to practice and refine a talk for an upcoming conference, as well as improve presentation skills. It is...
NCN Student Research Symposium 2009
NCN-SLC holds an NCN Student Research Symposium (NSRS) in Spring/ Summer each year. The purpose is to bring together students from the various research groups working on nanoscience and computational disciplines and provide a forum for sharing of ideas and knowledge.
NCN Student Research...
Trip to Argonne, Spring 2009
NCN@Purdue SLC is organizing a trip to Argonne National Lab in Chicago this Spring. The trip is free for NCN affiliated students at Purdue. All transportation and lunch expenses shall be paid by the NCN. We will board the vehicles on Purdue campus in the morning and return by night. Argonne shall...
NCN Student Banquet
Each Spring and Fall Purdue NCN students gather for a banquet organized by the NCN@Purdue SLC.
NCN Student Banquet Spring 2009
Date: April 21, 2009 (Tuesday), 6:00pm-8:30pm
Venue: East Faculty Lounge, Purdue Memorial Union (PMU), Purdue University
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