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Understanding Nature's Quantum Mysteries Through Few-Body Theory
22 May 2023 | | Contributor(s):: Chris H Greene
In this lecture, I will describe some of these intriguing problems that have been tackled using our few-body theoretical quantum toolkit, and discuss key implications of our work in many fields, including astrophysics, many-body systems, chemical physics, and small nuclei.
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Computational Hydrogen Notebook
09 May 2017 | | Contributor(s):: Martin Hunt, Alejandro Strachan
Solve the ground state for the hydrogen atom computationally using four gaussian functions as the basis set. You can change the width of each gaussian and explore how the description changes. Compare the energy and wave function with the exact solution.
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MSE 498 Lesson 9: DFT
16 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...
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Roman Nazarov
https://nanohub.org/members/69136
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Hydrogen Car Demo and Explaination
20 Dec 2011 | | Contributor(s):: Go CHOI, Jerry M. Woodall
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Ann O'Minus
https://nanohub.org/members/54038
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CHM 696 Lecture 4: Hydrogen Bonds and Other Directional Motifs/Encoded Self-Assembly
07 Mar 2011 | | Contributor(s):: Alexander Wei
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CHM 696 Lecture 1: Molecular Recognition of Non-Spherical Ions/Hydrogen Bonding
22 Feb 2011 | | Contributor(s):: Alexander Wei
Molecular recognition of non-spherical ions: cations, anions, and chiral molecules;Hydrogen Bonding in molecular recognition
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Small Molecules in Intense Lasers via Time-Dependent Density Functional Theory
24 Jul 2009 | | Contributor(s):: Marcela Meza, Daniel Lee Whitenack, Adam Wasserman
Simulate the behavior of a hydrogen molecule when illuminated by an intense laser field.