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More is Different - Non-Scalability of Approximation in Modeling Noncovalent Interaction

Institute for Pure & Applied Mathematics (IPAM) via YouTube

Overview

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Explore the complex scaling of non-covalent interactions in nanoscale systems through this 53-minute conference talk by Martin Stöhr from the University of Luxembourg. Delve into the limitations of common approximations used in atomistic modeling for large-scale systems, including point-to-point-like electronic response and pairwise additivity of van der Waals interactions. Discover new insights into the heterogeneous character of electronic response, van der Waals dispersion in solvated biomolecules, and the importance of higher-order interactions in nanostructured environments. Learn about quantum-mechanical many-body treatments of van der Waals dispersion and their implications for protein folding. Understand the necessity of efficient quantum-mechanical methods for achieving reliable descriptions of practically-relevant systems in technological and pharmacological developments.

Syllabus

Introduction
More is Different
Hierarchy of Approximation
More is Different Problem
Lessons Learned
Nonlocal dipole polarizability
Numerical observation
Biomolecular observation
Summary
Depolarization
Individual Contributions
Noncovalent Interactions
Biomolecular Systems
Approximations
Technical Background
Molecules under confinement
Applications

Taught by

Institute for Pure & Applied Mathematics (IPAM)

Reviews

4.5 rating, based on 2 Class Central reviews

Start your review of More is Different - Non-Scalability of Approximation in Modeling Noncovalent Interaction

  • Konrad Gorzelanczyk
    The course "More is Different - Non-Scalability of Approximation in Modeling Noncovalent Interactions" delves into the intricacies of molecular modeling. Key topics include approximation hierarchy, polarizability, biomolecular systems, and numerical observations. The materials are very clear and well-structured, making complex concepts easy to grasp. The course emphasizes the non-scalability of approximation methods, offering valuable insights into molecular confinement and interaction modeling. I'm looking forward to learning even more in future courses!
  • JAMES SOLOMON
    I found this course very interesting and helpful in understanding non covalent bonding, it really helped me in my beginner studies in computational methods

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