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Adedapo Sunday Adeyinka
Adedapo Adeyinka is a Lecturer at the Department of Chemical Sciences, University of Johannesburg. He completed his PhD at the University of Pretoria and spent two years conducting Postdoctoral...
https://nanohub.org/members/197673
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Akshat Saraf
Chemistry PhD Student at Georg August Universität GöttingenUsing computational chemistry to better inform electrochemical experiments
https://nanohub.org/members/190860
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Gautam Jha
https://nanohub.org/members/188438
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NCN at Northwestern Tools
NCN@Northwestern Tool Support
We have identified a list of tools for which we commit the following level of service:
monitor support tickets, questions, and wishlists and provide a...
https://nanohub.org/wiki/NCNatNWTools
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Forces That Govern Life: On the Way to Understanding Intermolecular Interactions
20 Jul 2017 | | Contributor(s):: Lyudmila V. Slipchenko
This talk will overview our recent work on the Effective Fragment Potential (EFP) method. EFP is a model potential designed for describing non-covalent interactions. The absence of fitted parameters and a natural partitioning of the interaction energy into Coulomb, polarization, dispersion, and...
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jesus alexis Gonzalez
https://nanohub.org/members/161639
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Sanghamitra Anand
I'm 17, a senior high school-er, making use of Nanohub resources for extra interest and my project work associated with The Junior Academy class of 2016-17. Hope to learn a lot of new exciting...
https://nanohub.org/members/158926
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Abhisek Kole
https://nanohub.org/members/149754
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Abhisek kole
https://nanohub.org/members/130541
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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
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Rodrigo Castillo
https://nanohub.org/members/124185
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Omar Abdelfattah Omran
https://nanohub.org/members/113802
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Lecture 2: The Wigner Monte Carlo Method for Single-Body Quantum Systems
15 Nov 2014 | | Contributor(s):: Jean Michel D Sellier
In this lecture, Dr. Sellier discusses the Wigner Monte Carlo method applied to single-body quantum systems.
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Lecture 3: The Wigner Monte Carlo Method for Density Functional Theory
15 Nov 2014 | | Contributor(s):: Jean Michel D Sellier
In this lecture, Dr. Sellier discusses the Wigner Monte Carlo method in the framework of density functional theory (DFT).
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Lecture 4: The ab-initio Wigner Monte Carlo Method
15 Nov 2014 | | Contributor(s):: Jean Michel D Sellier
In this lecture, Dr. Sellier discusses the ab-initio Wigner Monte Carlo method for the simulation of strongly correlated systems.
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Lecture 5: Systems of Identical Fermions in the Wigner Formulation of Quantum Mechanics
15 Nov 2014 | | Contributor(s):: Jean Michel D Sellier
In this lecture, Dr. Sellier discusses about systems of indistinguishable Fermions in the Wigner formulation of quantum mechanics.
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Timothy Havel
https://nanohub.org/members/99453
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Marco MarÃn Suárez
https://nanohub.org/members/98339
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Christopher Browne
https://nanohub.org/members/95196
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Samir Nadim Tohme
https://nanohub.org/members/94375