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YouTube

DELTA - Descriptors of Energy Landscape by Topological Analysis Webinar 2020

Applied Algebraic Topology Network via YouTube

Overview

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Explore the intersection of mathematics, data science, and chemistry through this comprehensive webinar series that introduces the DELTA (Descriptors of Energy Landscape by Topological Analysis) project. Learn how topological data analysis (TDA) combines algebraic topology with computational methods to extract new knowledge by characterizing the global shape of complex chemical data sets. Discover how researchers are developing advanced methods and software tools to understand energy landscapes - the functions that describe energy flow during chemical transformations - and how these landscapes change under different applied conditions. Master key concepts including persistent homology, Morse theory, catastrophe theory, and dimension reduction techniques through presentations by leading experts from Washington State University, Colorado State University, University of Colorado Boulder, Rensselaer Polytechnic Institute, and University of Illinois Urbana-Champaign. Gain insights into the Topology ToolKit, Mapper algorithms, and cyber infrastructure for science gateways while understanding how TDA can revolutionize chemistry by enabling real-time optimization and control of chemical systems. Examine practical applications of topology in chemistry and learn how these interdisciplinary approaches are creating new paradigms for understanding molecular interactions and phase behavior, supported by the National Science Foundation's Harnessing the Data Revolution initiative.

Syllabus

Bala Krishnamoorthy (10/20/20): Dimension reduction: An overview
Henry Adams (6/4/20): Descriptors of Energy Landscapes using Topological Analysis (DELTA)
Julien Tierny (5/19/20): An Introduction to the Topology ToolKit
Aurora Clark (3/10/20): Topology in chemistry applications
Connor McCranie and Markus Pflaum (2/25/20): Catastrophe theory
Henry Adams and Enrique Alvarado: An introduction to Morse theory
Sudhakar Pamidighantam (2/12/2020): Cyber Infrastructure for Science Gateways
Bala Krishnamoorthy (2/11/2020): An Introduction to Mapper
An introduction to persistent homology

Taught by

Applied Algebraic Topology Network

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