Tags: quantum chemistry

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  1. Thomas A Manz

    Tom Manz is a Chemical & Materials Engineering faculty at New Mexico State University. His research group develops new computational chemistry methods and physical interaction models. He is the...

    https://nanohub.org/members/222347

  2. 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

  3. Akshat Saraf

    Chemistry PhD Student at Georg August Universität GöttingenUsing computational chemistry to better inform electrochemical experiments

    https://nanohub.org/members/190860

  4. Gautam Jha

    https://nanohub.org/members/188438

  5. NCN at Northwestern Tools

    Wiki

    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

  6. Forces That Govern Life: On the Way to Understanding Intermolecular Interactions

    Online Presentations | 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...

  7. jesus alexis Gonzalez

    https://nanohub.org/members/161639

  8. 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

  9. Abhisek Kole

    https://nanohub.org/members/149754

  10. Abhisek kole

    https://nanohub.org/members/130541

  11. ab initio simulations with ORCA

    Tools | 28 Jul 2015 | Contributor(s):: nicolas onofrio, Alejandro Strachan

    ab initio and density functional theory calculations dedicated to molecular systems

  12. Rodrigo Castillo

    https://nanohub.org/members/124185

  13. Omar Abdelfattah Omran

    https://nanohub.org/members/113802

  14. Lecture 2: The Wigner Monte Carlo Method for Single-Body Quantum Systems

    Online Presentations | 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.

  15. Lecture 3: The Wigner Monte Carlo Method for Density Functional Theory

    Online Presentations | 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).

  16. Lecture 4: The ab-initio Wigner Monte Carlo Method

    Online Presentations | 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.

  17. Lecture 5: Systems of Identical Fermions in the Wigner Formulation of Quantum Mechanics

    Online Presentations | 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.

  18. Timothy Havel

    https://nanohub.org/members/99453

  19. Marco Marín Suárez

    https://nanohub.org/members/98339

  20. Christopher Browne

    https://nanohub.org/members/95196