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#Electronic Structure

Showing: 52 courses
ICTP-SAIFR

Introduction to Applications of Quantum Computing to Quantum Chemistry - Class 2

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Explore quantum computing applications in quantum chemistry, focusing on advanced concepts and practical implementations.
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1 Lesons
1 hour 17 minutes
On-Demand
Free-Video
PCS Institute for Basic Science

Large Anomalous Hall Conductivity in CoS2

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Explore the anomalous Hall conductivity in CoS2, examining its pyrite structure, ferromagnetic properties, and electronic characteristics through experimental data and DFT results.
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26 Lesons
48 minutes
On-Demand
Free-Video
Institute for Pure & Applied Mathematics (IPAM)

Numerical Methods for Scattering and Resonance Properties in Molecules and Solids

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Explore numerical methods for discretizing continuum states in electronic structure, addressing scattering, photo-ionization, and resonances. Learn efficient computational techniques with applications in condensed matter physics and chemistry.
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1 Lesons
40 minutes
On-Demand
Free-Video
Centre for Quantum Technologies

Demystifying Density Functional Theory: From Fundamentals to Applications

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Uncover the fundamental principles and applications of Density Functional Theory (DFT), exploring its role in physics, chemistry, and biology while understanding its operational framework and research potential.
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1 Lesons
41 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Band Structure Transformation of the Avoided Crossing Type in Impure Graphene

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Explore the band structure transformations in impure graphene, focusing on avoided crossing phenomena and their implications for theoretical physics.
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1 Lesons
33 minutes
On-Demand
Free-Video
Institute for Pure & Applied Mathematics (IPAM)

Go EAST, Young Scientist - First Principles View on Chemical Compound Space

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Explore chemical compound space through first principles and machine learning, gaining insights into atomistic and electronic structures for efficient materials discovery and understanding.
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1 Lesons
50 minutes
On-Demand
Free-Video
International Centre for Theoretical Sciences

Flat Bands in Twisted Bilayer Transition Metal Dichalcogenides by Manish Jain

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Explore flat bands in twisted bilayer transition metal dichalcogenides, focusing on Moire patterns, electronic structure, and localization effects in various twist angles and stacking configurations.
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27 Lesons
40 minutes
On-Demand
Free-Video
Institute for Pure & Applied Mathematics (IPAM)

Randomized Methods for Quantum Many-Body Problems - A Mathematical Primer

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Explore randomized methods for quantum many-body problems, focusing on Monte Carlo techniques to approximate ground and excited states in large systems. Learn about VMC and FCIQMC algorithms.
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13 Lesons
1 hour 15 minutes
On-Demand
Free-Video
Institute for Pure & Applied Mathematics (IPAM)

Stochastic Vector Methods for Extended Systems - IPAM at UCLA

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Explore stochastic vector approaches for electronic structure in condensed matter systems, reducing complexity and enhancing efficiency in computational quantum mechanics.
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1 Lesons
55 minutes
On-Demand
Free-Video
Institute for Pure & Applied Mathematics (IPAM)

Mathematical Models of Electronic Structure - IPAM at UCLA

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Explore mathematical models of electronic structure, focusing on quantum mechanics applications in materials science and chemistry, presented by Duke University expert Jianfeng Lu.
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1 Lesons
1 hour 6 minutes
On-Demand
Free-Video
IMSA

Revealing Electronic Structure and Topological States of Charge Density Wave Compounds

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Explore electronic structure and topological states in charge density wave compounds, focusing on transition metal tetrachalcogenides and their unique properties in ultra-high magnetic fields.
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1 Lesons
1 hour 13 minutes
On-Demand
Free-Video
IMSA

Disorder in Multi-Band Topological Semimetals

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Exploring disorder effects in topological magnetic semimetals, focusing on exotic transport properties, Berry curvature, and intrinsic anomalous Hall effect in various material systems.
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1 Lesons
33 minutes
On-Demand
Free-Video
nanohubtechtalks

Density Functional Theory: Introduction and Applications

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Explore Density Functional Theory fundamentals and applications using Quantum Espresso on nanoHUB. Learn to compute electronic structures, densities of state, total energies, and bulk modulus for materials.
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22 Lesons
1 hour 9 minutes
On-Demand
Free-Video
International Centre for Theoretical Sciences

Getting from DaFT to DeFT: An Introduction to Using DFT for 2D Materials

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Comprehensive introduction to Density Functional Theory for 2D materials, covering fundamental concepts, applications, and practical implementation techniques.
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1 Lesons
1 hour 17 minutes
On-Demand
Free-Video
International Centre for Theoretical Sciences

When and Why Do We Have Unconventional Behavior in Van Der Waals Bilayers?

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Explore unconventional behavior in van der Waals bilayers, focusing on emergent electronic, magnetic, and topological phenomena in 2D synthetic quantum material structures.
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1 Lesons
43 minutes
On-Demand
Free-Video
International Centre for Theoretical Sciences

Layer-Resolved Electronic Structure of Oxide Heterostructures using High Energy X-Ray Spectroscopy

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Explore layer-resolved electronic structure of oxide heterostructures using high-energy techniques. Gain insights into emergent phenomena in 2D quantum materials and their potential applications.
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1 Lesons
47 minutes
On-Demand
Free-Video
International Centre for Theoretical Sciences

A Tale of Two Kinds of Superconducting Nickelates

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Explore superconducting nickelates in this talk on engineered 2D quantum materials, covering recent developments in electronic, magnetic, and topological phenomena in synthetic structures.
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1 Lesons
52 minutes
On-Demand
Free-Video
QChemSoftware

Introduction to Q-Chem Software Package - Session 1

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Explore Q-Chem software: features, community, and applications in computational chemistry. Learn about ground state methods, excited states, and molecular dynamics simulations.
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21 Lesons
31 minutes
On-Demand
Free-Video
QChemSoftware

Density Functional Theory Overview - 2023 Virtual Winter School in Computational Chemistry

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Explore density functional theory methods with Prof. Martin Head-Gordon, covering key concepts, functional design, and performance analysis in computational chemistry.
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18 Lesons
1 hour 3 minutes
On-Demand
Free-Video
QChemSoftware

Molecular Properties and Spectra Using DFT and TDDFT - Session 6

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Explore DFT and TDDFT applications in molecular properties and spectra with Prof. Martin Head-Gordon. Covers first/second-order properties and excited states, with accompanying lab exercise.
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5 Lesons
17 minutes
On-Demand
Free-Video
Institute for Advanced Study

Lattice Reconstruction, Piezoelectricity, and Topology in Twisted MoTE2

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Explore lattice reconstruction, piezoelectricity, and topology in twisted MoTE2 with expert Di Xiao, delving into advanced condensed matter physics concepts and their applications.
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1 Lesons
1 hour 14 minutes
On-Demand
Free-Video
PLAY Chemistry

Energy Band Theory - Valence Band, Conduction Band, and Forbidden Energy Gap

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Explore energy band theory, including valence and conduction bands, forbidden energy gaps, and differences between insulators, semiconductors, and conductors through graphs and animations.
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9 Lesons
13 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

MRSF-TDDFT - Balancing Dynamic and NonDynamic Electron Correlations

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Explore advanced quantum chemistry techniques for balancing dynamic and non-dynamic electron correlations in MRSF-TDDFT calculations.
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1 Lesons
57 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

Electronic-Structure Informatics: Concept, Method, Applications, and Plausible Extension

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Explore electronic-structure informatics, covering concepts, methods, applications, and potential extensions in computational chemistry and materials science.
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1 Lesons
29 minutes
On-Demand
Free-Video
Materials Cloud

CECAM-MARVEL Classics: Molecular and Materials Modelling with Antoine Georges and Gabriel Kotliar

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Explore pioneering methods in computational physics and chemistry with Antoine Georges and Gabriel Kotliar. Learn about quantum excitations, locality, and efficient impurity solvers in this in-depth presentation.
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18 Lesons
2 hours 52 minutes
On-Demand
Free-Video
Materials Cloud

QE Tutorial 2022 - Spectral Properties of Finite and Extended Systems

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Explore spectral properties of finite and extended systems through hands-on exercises using Quantum ESPRESSO, focusing on Hubbard and Koopmans functionals.
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1 Lesons
1 hour 4 minutes
On-Demand
Free-Video
Materials Cloud

Koopmans Functionals in Practice - QE Tutorial 2022

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Explore Koopmans functionals in Quantum ESPRESSO, focusing on practical applications and advanced techniques for electronic structure calculations.
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1 Lesons
53 minutes
On-Demand
Free-Video
Illinois Quantum

Materials Science Simulations on Quantum Computers

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Explore quantum computing applications in materials science, focusing on electronic-structure simulations, quantum defect embedding theory, and noise mitigation strategies for IBM quantum hardware.
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1 Lesons
58 minutes
On-Demand
Free-Video
Squid: Schools for Quantum Information Development

Quantum Computation of Stopping Power for Inertial Fusion

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Explore quantum computational methods for calculating stopping power in inertial fusion, focusing on first-principles calculations and fault-tolerant quantum computing protocols for electronic systems.
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1 Lesons
31 minutes
On-Demand
Free-Video
Alan Turing Institute

Machine Learning in Condensed Matter and Materials Physics

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Explore how machine learning enhances simulations of matter, from electronic to molecular structures, boosting computational methods and potentially leading to new physical insights and exotic materials.
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1 Lesons
56 minutes
On-Demand
Free-Video
Institute for Pure & Applied Mathematics (IPAM)

Searching for Valuable Applications of Fault-Tolerant Quantum Computers in Chemistry

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Exploring potential applications of fault-tolerant quantum computing in chemistry, including electronic structure, quantum dynamics, and molecular vibrations simulation.
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1 Lesons
53 minutes
On-Demand
Free-Video
QMCPACK

Fermi Surface Calculation with QMCPACK - 13/18

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Explore Fermi surface calculations using QMCPACK in this advanced workshop presentation, focusing on cutting-edge techniques and applications in quantum physics.
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1 Lesons
18 minutes
On-Demand
Free-Video
NPTEL-NOC IITM

The Tight-Binding Approximation for Periodic Solids - Lecture 40

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Develop understanding of tight-binding method for periodic solids using Bloch theorem and LCAO, exploring formalism and energy dispersion.
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5 Lesons
20 minutes
On-Demand
Free-Video
ICTP-SAIFR

Revealing Mechanisms of Light Harvesting and Charge Separation in Molecular Systems

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Explore mechanisms of light harvesting and charge separation in molecular systems, focusing on challenges for time-dependent density functional theory.
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1 Lesons
29 minutes
On-Demand
Free-Video
QMCPACK

Spin Orbit Coupling in QMCPACK

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Explore spin orbit coupling implementation in QMCPACK with Cody Melton's workshop presentation, covering advanced quantum mechanics concepts and computational techniques.
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1 Lesons
41 minutes
On-Demand
Free-Video
Materials Cloud

Introduction to Density-Functional Theory - QE School 2023 Lecture 1.2

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Explore density-functional theory fundamentals, focusing on Hubbard and Koopmans functionals from linear response in advanced quantum calculations.
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1 Lesons
49 minutes
On-Demand
Free-Video
Materials Cloud

First-Principles Calculation of Hubbard Parameters Using Linear-Response Theory - QE School 2023

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Explore first-principles calculation of Hubbard parameters using linear-response theory in advanced Quantum ESPRESSO applications for materials science.
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1 Lesons
59 minutes
On-Demand
Free-Video
Materials Cloud

Koopmans Compliance: Towards a Functional Theory of the Spectral Density - Lecture 4.2

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Explore Koopmans compliance and its role in developing a functional theory of spectral density, advancing understanding of Hubbard and Koopmans functionals in quantum systems.
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1 Lesons
57 minutes
On-Demand
Free-Video
Materials Cloud

Koopmans Functionals: Basic Concepts - QE School 2023 - Lecture 4.1

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Explore Koopmans functionals in quantum mechanics, covering fundamental principles and applications in advanced Quantum ESPRESSO calculations.
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1 Lesons
43 minutes
On-Demand
Free-Video
ICTP-SAIFR

Search for New Electride High Temperature Superconductors

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Explore cutting-edge research on electride high-temperature superconductors, focusing on the search for novel materials with potential technological applications.
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1 Lesons
33 minutes
On-Demand
Free-Video
Materials Cloud

Electronic-Structure Methods for Materials Science - Advanced Quantum ESPRESSO Tutorial

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Explore advanced electronic-structure methods for materials science, focusing on Hubbard and Koopmans functionals from linear response in Quantum ESPRESSO.
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19 Lesons
1 hour 13 minutes
On-Demand
Free-Video
Centrum Fizyki Teoretycznej PAN

Simulating Quantum Chemistry Hamiltonians with Fault-Tolerant Quantum Computers

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Delve into quantum algorithms for electronic structure calculations, exploring symmetries and tensor-network factorizations to optimize quantum resources for chemical simulations and catalyst development.
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1 Lesons
1 hour 10 minutes
On-Demand
Free-Video
Materials Cloud

Maximally Localized Wannier Functions: Theory and Recent Developments - Lecture 1.4

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Explore maximally localized Wannier functions, their theoretical foundations, and latest advancements in quantum materials research.
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1 Lesons
1 hour 10 minutes
On-Demand
Free-Video
Materials Cloud

Successes and Failures of DFT+U in Ferroic Materials - Lecture 3.4

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Explore successes and failures of DFT+U in ferroic materials, focusing on Hubbard and Koopmans functionals from linear response in advanced quantum calculations.
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1 Lesons
1 hour 4 minutes
On-Demand
Free-Video
Materials Cloud

Ab Initio Many-Body Perturbation Theory - QE School 2023 Lecture 4.5

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Explore advanced quantum mechanics with a focus on Hubbard and Koopmans functionals, delving into linear response theory and many-body perturbation techniques.
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1 Lesons
1 hour 3 minutes
On-Demand
Free-Video
Materials Cloud

Ab-initio Green's Functions Methods for Molecules and Solids - Lecture 36

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Explore ab-initio Green's functions methods for molecules and solids, examining their accuracy and applications in computational materials science.
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1 Lesons
1 hour 19 minutes
On-Demand
Free-Video
Erwin Schrödinger International Institute for Mathematics and Physics (ESI)

Spin-Orbit Related Phenomena in Magnets from Density Functional Theory

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Explore spin-orbit physics in magnets using density functional theory. Understand electronic structure changes, magnetic interactions, and their impact on condensed matter phenomena.
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1 Lesons
1 hour 2 minutes
On-Demand
Free-Video
Advanced Cyberinfrastructure Training at RPI

Recent Advances in Density Functional Theory for Complex Correlated Materials

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Explore recent advances in density functional theory for complex correlated materials, presented by Dr. Christopher Lane of Los Alamos National Lab.
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1 Lesons
1 hour 13 minutes
On-Demand
Free-Video
Advanced Cyberinfrastructure Training at RPI

Concepts in the Computational Study of Correlated Electron Materials

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Explore computational methods for studying correlated electron materials, focusing on advanced concepts and techniques in materials science and chemistry.
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1 Lesons
1 hour 17 minutes
On-Demand
Free-Video
PCS Institute for Basic Science

Quasicrystalline Resonant States and Nonlinear Landau Fan Diagram in van der Waals Superlattices

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Explore quasicrystalline resonant states and nonlinear Landau fan diagrams in van der Waals superlattices, examining unique electron behaviors in incommensurate configurations and moiré potentials.
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1 Lesons
1 hour 13 minutes
On-Demand
Free-Video
MuST Program for Disordered Materials

Disordered Hyperuniformity in Two-Dimensional Materials

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Explore disordered hyperuniformity in 2D materials, its impact on electronic structures, and role of topological defects in preserving hyperuniformity in amorphous materials.
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1 Lesons
1 hour 12 minutes
On-Demand
Free-Video
MuST Program for Disordered Materials

Electronic Structure in the Superconducting State from First Principles

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Explore first-principles theory of inhomogeneous superconductivity, focusing on magnetic atom chains on superconductor surfaces and the identification of Majorana Zero Modes in topological systems.
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1 Lesons
1 hour 10 minutes
On-Demand
Free-Video