Lectures related to Energy minimization

Hartree-Fock Equations for N Fermions

Discusses the minimization of the Hartree-Fock functional for N fermions and the variational principle in quantum physics.

Topological Optimization SP80: R3

Explores topological optimization for reducing mass while preserving mechanical properties through 3D metal printing.

Constraints in Molecular Dynamics: Introduction

Discusses the importance of freezing fast vibrations in Molecular Dynamics simulations to follow physical phenomena over longer timescales.

Molecular Dynamics Simulations

Explores potential energy surfaces in molecular dynamics simulations and the use of mixed quantum mechanical/molecular mechanical methods.

Linux Basics: Command Line and Psi4

Covers Linux basics and Psi4 usage for electronic structure calculations.

Finite Elements: Convergence Analysis and Variational Formulation

Explores convergence analysis of finite element methods and variational formulation.

Principle of Least Action

Explores the principle of least action in mathematics and its application to functional branches.

Exact Fields, Direct Methods, Sobolev Spaces

Covers Hilbert's theorem, direct methods, and Sobolev spaces, including classical and modern methods.

Atomic Structure: Real Atom

Explores the real atom, electron distribution rules, molecular and band structure computation methods, and the Born-Oppenheimer approximation.

Energy Minimization in Biological Systems: Equilibrium Models

Covers energy minimization models in biological systems, focusing on equilibrium and the roles of entropy and hydrophobicity.

Optimization Techniques: Gradient Method Overview

Discusses the gradient method for optimization, focusing on its application in machine learning and the conditions for convergence.

Computational Chemistry: Olefin Metathesis

Delves into the role of computational chemistry in enhancing Olefin Metathesis, emphasizing theory's predictive power and the Nobel Prize-winning contributions of Chauvin, Grubbs, and Schrock.

Optimization with Constraints: KKT Conditions Explained

Covers the KKT conditions for optimization with constraints, detailing their application and significance in solving constrained problems.