Predicting the Magnetic Ground State with VASP
Explore techniques for predicting magnetic ground states using VASP. Learn about cluster multipole expansion, SDFT energy landscapes, and practical tips for first-principles calculations in magnetism.
Molecular Simulations of Ionic Liquid-Based Systems: From Structural to Optoelectronic Properties
Explore molecular simulations of ionic liquid systems, examining structural and optoelectronic properties for advanced applications.
Defect Structures and Patterns in Ultrathin Layers
Explore modeling of out-of-plane deformation in 2D sheets and bilayers, focusing on graphene and hBN. Examine applications to strained sheets, dislocation dipoles, and grain boundaries in flexible layers.
MaZe: A New Approach for Simulating Adiabatic Systems - Lecture
Explore MaZe, a novel approach for simulating adiabatic systems in physics. Learn about its applications in first principles simulations, polarizable systems, and ionic transport studies.
Impurities in the Extended Hofstadter-Hubbard Model
Explore impurities in the extended Hofstadter-Hubbard model, examining their effects on quantum systems and potential applications in condensed matter physics.
Computationally Guided Control of Carriers in Semiconductors - Density Functional Theory and Phase-Boundary Mapping for Thermoelectrics
Explore computational methods for controlling carriers in semiconductors, focusing on density functional theory and phase-boundary mapping for thermoelectric defect engineering.
Search for New Electride High Temperature Superconductors
Explore cutting-edge research on electride high-temperature superconductors, focusing on the search for novel materials with potential technological applications.
Nonlinear Hall Effect Induced by a Quantum Metric Dipole in Antiferromagnetic Heterostructures
Explore nonlinear Hall effect in antiferromagnetic heterostructures, focusing on quantum metric dipole's role and its implications for electron correlations in quantum materials.
A Cloaked Griffiths Phase in a Low Dimensional Superconductor
Explore the Griffiths phase in low-dimensional superconductors, examining rare regions, multiple crossings, and anomalous behavior in quantum materials.
Band-Topology of Triplet Excitations
Explore band-topology of triplet excitations in quantum materials, focusing on inhomogeneities, frustration, and topology in strongly correlated electron systems.
Hybridization Induced Superconductivity in Non-Interacting Chains
Explore hybridization-induced superconductivity in non-interacting chains, examining its effects on quantum materials with strong electron correlations.
Exploring Light-Induced Phenomena in Condensed Matter Physics within the Framework of Density-Functional Theory
Explore light-matter interactions in condensed matter physics using density-functional theory. Investigate giant bulk photovoltaic effect in WS2 nanotubes and optoelectronic manifestation of orbital angular momentum in helical Se chains.
SCAN Functional and DFT Errors for Open-Shell d- and f-Electron Systems
Explore DFT challenges in correlated materials, focusing on SCAN functional's improvements for open-shell d- and f-electron systems. Analyze error sources and symmetry breaking effects.
An Efficient and Accurate Approach to Strongly Correlated Materials
Explore an enhanced method for simulating strongly correlated materials using ghost-rotationally-invariant slave-boson (g-RISB) approach, improving accuracy in describing material properties with realistic parameters.
Solving Complex Quantum Chemistry Problems with Amazon Braket
Explore quantum chemistry problem-solving using Amazon Braket with insights from an applied scientist at QHack 2023.
Data-Driven Materials Innovation: Where Machine Learning Meets Physics
Explore how machine learning and physics-based methods synergize to revolutionize materials science, addressing challenges in data-driven design across various technology fields with Schrödinger's innovative tools.
Ab Initio DMFT Methodologies for Correlated Quantum Materials
Explore ab initio DMFT methodologies for understanding correlated quantum materials, their novel physics, and potential applications in quantum information science.
Electronic-Structure Methods for Materials Science - Advanced Quantum ESPRESSO Tutorial
Explore advanced electronic-structure methods for materials science, focusing on Hubbard and Koopmans functionals from linear response in Quantum ESPRESSO.
Simulating Quantum Chemistry Hamiltonians with Fault-Tolerant Quantum Computers
Delve into quantum algorithms for electronic structure calculations, exploring symmetries and tensor-network factorizations to optimize quantum resources for chemical simulations and catalyst development.
Solving the Many-Electron Schrödinger Equation with Deep Neural Networks
Explore deep neural networks for solving complex quantum mechanical equations in many-electron systems, advancing computational physics and materials science.
Electronic and Optical Spectra from Optimally-Tuned Functionals - QE Tutorial 2022
Explore optimally-tuned functionals for accurate electronic and optical spectra calculations in advanced quantum systems.