Density functional theory

Lattice density functional theory

Lattice density functional theory (LDFT) is a statistical theory used in physics and thermodynamics to model a variety of physical phenomena with simple lattice equations. (Wikipedia).

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Time-Dependent Density Functional Theory

Associate Professor Neepa Maitra of Hunter College explains how she uses time-dependent density functional theory to examine the effects of magnetic fields on atoms, molecules and solids.

From playlist Density Functional Theory (DFT), Vasp, and Molecular Mechanics - Beginner's Lectures

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Robert Seiringer: The local density approximation in density functional theory

We present a mathematically rigorous justification of the Local Density Approximation in density functional theory. We provide a quantitative estimate on the difference between the grand-canonical Levy-Lieb energy of a given density (the lowest possible energy of all quantum st

From playlist Mathematical Physics

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How to calculate theoretical density for crystal structures

Theoretical density calculations are important. Real density values can deviate slightly from these calculations because of voids, vacancies, cracks etc. However, they provide a good approximation. We calculate density from mass divided by volume. We can determine mass by taking the molecu

From playlist Materials Sciences 101 - Introduction to Materials Science & Engineering 2020

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Lattice Structures in Ionic Solids

We've learned a lot about covalent compounds, but we haven't talked quite as much about ionic compounds in their solid state. These will adopt a highly ordered and repeating lattice structure, but the geometry of the lattice depends entirely on the types of ions and their ratio in the chem

From playlist General Chemistry

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Harold Dales: Multi-norms and Banach lattices

Find this video and other talks given by worldwide mathematicians on CIRM's Audiovisual Mathematics Library: http://library.cirm-math.fr. And discover all its functionalities: - Chapter markers and keywords to watch the parts of your choice in the video - Videos enriched with abstracts, b

From playlist Analysis and its Applications

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Density conjecture for horizontal families of lattices in SL(2) - Mikolaj Fraczyk

Joint IAS/Princeton University Number Theory Seminar Topic: Density conjecture for horizontal families of lattices in SL(2) Speaker: Mikolaj Fraczyk Affiliation: Member, School of Mathematics Date: April 2, 2020 For more video please visit http://video.ias.edu

From playlist Mathematics

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Radek Adamczak: Functional inequalities and concentration of measure I

Concentration inequalities are one of the basic tools of probability and asymptotic geo- metric analysis, underlying the proofs of limit theorems and existential results in high dimensions. Original arguments leading to concentration estimates were based on isoperimetric inequalities, whic

From playlist Winter School on the Interplay between High-Dimensional Geometry and Probability

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Lec 8 | MIT 3.320 Atomistic Computer Modeling of Materials

Case Studies of DFT View the complete course at: http://ocw.mit.edu/3-320S05 License: Creative Commons BY-NC-SA More information at http://ocw.mit.edu/terms More courses at http://ocw.mit.edu

From playlist MIT 3.320 Atomistic Computer Modeling of Materials

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Daniel Massatt: "Momentum space in relaxed incommensurate bilayers"

Theory and Computation for 2D Materials "Momentum space in relaxed incommensurate bilayers" Daniel Massatt, University of Chicago Abstract: Momentum space techniques are fundamental to the understanding of electronic structure of materials. The basic formulation of momentum space comes f

From playlist Theory and Computation for 2D Materials 2020

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Karlheinz Gröchenig: Gabor Analysis and its Mysteries (Lecture 3)

Due to technical problems the blackboard is not visible. The lecture was held within the framework of the Hausdorff Trimester Program Mathematics of Signal Processing. In Gabor analysis one studies the construction and properties of series expansions of functions with respect to a set of

From playlist HIM Lectures: Trimester Program "Mathematics of Signal Processing"

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Mod-01 Lec-13 Debye Theory of Specific Heat, Lattice Vibrations

Condensed Matter Physics by Prof. G. Rangarajan, Department of Physics, IIT Madras. For more details on NPTEL visit http://nptel.iitm.ac.in

From playlist NPTEL: Condensed Matter Physics - CosmoLearning.com Physics Course

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An Introduction to Tensor Renormalization Group (Lecture 2) by Daisuke Kadoh

PROGRAM NONPERTURBATIVE AND NUMERICAL APPROACHES TO QUANTUM GRAVITY, STRING THEORY AND HOLOGRAPHY (HYBRID) ORGANIZERS: David Berenstein (University of California, Santa Barbara, USA), Simon Catterall (Syracuse University, USA), Masanori Hanada (University of Surrey, UK), Anosh Joseph (II

From playlist NUMSTRING 2022

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Renaud COULANGEON - Lattices, Perfects lattices, Voronoi reduction theory, modular forms, ... 1

Lattices, Perfects lattices, Voronoi reduction theory, modular forms, computations of isometries and automorphisms The talks of Coulangeon will introduce the notion of perfect, eutactic and extreme lattices and the Voronoi's algorithm to enumerate perfect lattices (both Eulcidean and He

From playlist École d'Été 2022 - Cohomology Geometry and Explicit Number Theory

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Introduction Sphere Packing problems by Abhinav Kumar

DISCUSSION MEETING SPHERE PACKING ORGANIZERS: Mahesh Kakde and E.K. Narayanan DATE: 31 October 2019 to 06 November 2019 VENUE: Madhava Lecture Hall, ICTS Bangalore Sphere packing is a centuries-old problem in geometry, with many connections to other branches of mathematics (number the

From playlist Sphere Packing - 2019

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Phase transitions in hard-core systems by Deepak Dhar ( Lecture - 5 )

PROGRAM BANGALORE SCHOOL ON STATISTICAL PHYSICS - X ORGANIZERS : Abhishek Dhar and Sanjib Sabhapandit DATE : 17 June 2019 to 28 June 2019 VENUE : Ramanujan Lecture Hall, ICTS Bangalore This advanced level school is the tenth in the series. This is a pedagogical school, aimed at bridgin

From playlist Bangalore School on Statistical Physics - X (2019)

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Systems of points with Coulomb interactions – Sylvia Serfaty – ICM2018

Plenary Lecture 2 Systems of points with Coulomb interactions Sylvia Serfaty Abstract: Large ensembles of points with Coulomb interactions arise in various settings of condensed matter physics, classical and quantum mechanics, statistical mechanics, random matrices and even approximation

From playlist Plenary Lectures

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Vladimir Bazhanov: Quantum geometry of 3-dimensional lattices

Abstract: In this lecture I will explain a relationship between incidence theorems in elementary geometry and the theory of integrable systems, both classical and quantum. We will study geometric consistency relations between angles of 3-dimensional (3D) circular quadrilateral lattices — l

From playlist SMRI Seminars

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numstrings2022 by Saumen Datta

PROGRAM NONPERTURBATIVE AND NUMERICAL APPROACHES TO QUANTUM GRAVITY, STRING THEORY AND HOLOGRAPHY (HYBRID) ORGANIZERS: David Berenstein (University of California, Santa Barbara, USA), Simon Catterall (Syracuse University, USA), Masanori Hanada (University of Surrey, UK), Anosh Joseph (II

From playlist NUMSTRING 2022

Related pages

Ferromagnetism | Perturbation theory | Phase transition | Entropy | Lagrange multiplier | Statistical associating fluid theory