Tags: physical chemistry

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  1. In the context of molecular dynamics, when does classical mechanics breakdown?

    Q&A|Closed | Responses: 0

    In the context of molecular dynamics, when does classical mechanics breakdown? I viewed a lecture and wrote down some of the main points that the professor discussed. One of them was the...

    https://nanohub.org/answers/question/726

  2. Akshat Saraf

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

    https://nanohub.org/members/190860

  3. Aliaskei Bakavets

    https://nanohub.org/members/170620

  4. David F Hakala

    https://nanohub.org/members/382625

  5. David Gottfried

    David Gottfried received a Bachelor of Science in chemistry (highest distinction, highest honors) in 1984 from the University of Michigan and continued his studies in physical chemistry at Stanford...

    https://nanohub.org/members/85985

  6. David Vonlanthen

    https://nanohub.org/members/40768

  7. Dibya Prakash Rai

    https://nanohub.org/members/187116

  8. Eckart Inertias

    29 May 2014 | | Contributor(s):: Bryan M. Wong

    Eckart Inertias: calculates effective Eckart inertias for large-amplitude torsions. The Eckart inertias are obtained by solving a system of transcendental equations using the Powell dogleg method. Since this system is highly nonlinear, analytical Jacobians have been implemented in the dogleg...

  9. Fatma Pri-Cakmak

    I am a postdoctoral researcher in the laboratory of Dr. Ibrahim Cissé at MIT. My research focuses on super-resolution imaging of condensates and viral RNA in live cells. My research interests lie...

    https://nanohub.org/members/380055

  10. Fernando Cruz

    https://nanohub.org/members/111001

  11. Flores Tomas Adrian

    Chemist by Facultad de Química-UNAM.

    https://nanohub.org/members/232329

  12. Franck-Condon Overlap Integrals

    29 May 2014 | | Contributor(s):: Bryan M. Wong

    Franck-Condon Overlap Integrals: calculates the vibrational overlap integral between two nuclear wavefunctions using the formalism developed by Sharp and Rosenstock [J. Chem. Phys., 41, 3453 (1964)].

  13. Grayson C Johnson

    https://nanohub.org/members/263620

  14. Hands-on Teaching with Jupyter Notebooks on nanoHUB

    04 Oct 2022 | | Contributor(s):: Michael Earl Reppert

    Dr. Reppert will discuss his use of nanoHUB Jupyter Notebook-based content in college Chemistry courses, focusing on nanoHUB's unique possibilities for hands-on simulation, visualization, and programming projects.

  15. Kushal Chakraborty

    https://nanohub.org/members/336527

  16. Louis Bouchard

    Dr. Bouchard obtained a bachelor's degree in physics and business management from McGill University in Montréal, Canada, a Master's degree in medical biophysics from the University of Toronto and a...

    https://nanohub.org/members/64697

  17. Luke Anthony Burke

    https://nanohub.org/members/66557

  18. Marcelo Videa Vargas

    Marcelo Videa is an associate professor at the Department of Chemistry at Tecnológico de Monterrey in Monterrey, México. He obtained his B.Sc. degree in Chemistry at Tecnológico de Monterrey in...

    https://nanohub.org/members/314063

  19. Mario Treviño

    https://nanohub.org/members/64325

  20. NanoHUB Jupyter Notebooks for Research and Education

    15 Jun 2023 | | Contributor(s):: Michael Earl Reppert

    Prof. Reppert presents and over view of using nanoHUB Jupyter Notebooks to create applications for teaching chemistry.  Also presented is a summary of the notebooks developed by his group.