Simulating Thousands of Atoms Using Linear Scaling BigDFT - Applications in Large-Scale Quantum Systems
Explore linear-scaling DFT for simulating thousands of atoms using BigDFT. Learn about localized support functions, fragment approaches, and applications in large-scale quantum simulations.
Solvated Electron: First Principles and Machine Learning Approaches
Explore advanced modeling of solvated electrons using machine learning, overcoming challenges in accuracy and efficiency to study structure, dynamics, and properties across temperatures.
Modelling Solution Chemistry for Transition Metal Complexes
Explore advanced techniques for modeling chemical reactions in solution, focusing on explicit solvent interactions and their impact on transition metal complexes and catalysis.
Fermi Surface Calculation with QMCPACK - 13/18
Explore Fermi surface calculations using QMCPACK in this advanced workshop presentation, focusing on cutting-edge techniques and applications in quantum physics.
New Correlation-Consistent Effective Core Potentials
Explore new correlation-consistent effective core potentials for quantum chemistry calculations, enhancing accuracy and efficiency in molecular simulations.
Orbital Optimization - QMCPACK Workshop 2023
Explore advanced techniques in quantum mechanics with a focus on orbital optimization methods and their applications in computational physics.
Using QMC to Understand Hydrogen Storage in Metal Decorated Graphene - 14/18
Explore quantum Monte Carlo techniques for analyzing hydrogen storage in metal-decorated graphene, enhancing understanding of advanced energy storage solutions.
VMC Wave Function Optimization for Excited States in Molecules and Solids - 15/18
Explore VMC wave function optimization techniques for excited states in molecules and solids, enhancing quantum simulations and computational chemistry understanding.
Managing High-Throughput Workflows with AiiDA - Advanced Quantum ESPRESSO Tutorial
Explore managing high-throughput workflows with AiiDA for advanced Quantum ESPRESSO calculations, focusing on Hubbard and Koopmans functionals from linear response.
Advanced Quantum ESPRESSO Tutorial: Hubbard and Koopmans Functionals - Day 2 Discussion
Explore advanced Quantum ESPRESSO concepts: Hubbard and Koopmans functionals from linear response in this in-depth tutorial discussion.
Advanced Quantum ESPRESSO School: Hubbard and Koopmans Functionals - Lecture 1.1
Explore advanced Quantum ESPRESSO concepts: Hubbard and Koopmans functionals from linear response in this comprehensive lecture.
Magnetocrystalline Anisotropy of Heavy Rare-Earth Atoms on Graphene
Explore magnetocrystalline anisotropy of heavy rare-earth atoms on graphene using DFT+U method. Uncover electronic and magnetic properties, predict quantum stability, and investigate strain effects.
Helical Ground State and Magnetoelectric Properties of Two-Dimensional Nb3Cl8
Explore helical ground state and magnetoelectric properties of 2D Nb3Cl8, examining ferrovalley coupling, magnetic states, and electric field effects on phase transitions.
Hidden Covalent Insulator and Spin Excitations in SrRu2O6
Explore theoretical study of SrRu2O6, combining DFT and DMFT to investigate its antiferromagnetic properties, spin excitations, and the nature of its paramagnetic state.
Covalent Crystals: Linear Combination of Atomic Orbitals - Lecture 18
Explore covalent crystal bonds using linear combination of atomic orbitals in this concise, theoretical examination of simple systems.
Spin Groups for Weak Spin-Orbit Coupling Materials
Explore spin groups in materials with weak spin-orbit coupling, focusing on their properties and applications in quantum materials research.
A Universal Programmable Gaussian Boson Sampler for Drug Discovery
Explore a cutting-edge quantum computing approach for accelerating drug discovery using Gaussian boson sampling, presented by Shang Yu from Imperial College London.
Designing Topological Quantum Matter
Explore the design principles of topological quantum matter and their applications in advanced quantum materials research.
New Insights on the Quantum Hall Transition Problem
Explore new perspectives on the quantum Hall transition, delving into advanced concepts in quantum materials and electron correlations.
Effective Momentum-Momentum Coupling in a Correlated Electronic System: The Diamagnetism of Benzene
Explore effective momentum-momentum coupling in correlated electronic systems, focusing on benzene's diamagnetism in quantum materials.
Disorder-Dominated Quantum Criticality in Moiré Bilayers
Explore disorder-dominated quantum criticality in moiré bilayers, examining strong electron correlations in quantum materials with inhomogeneities and frustration.