This article discusses improvements in self-interaction correction methods within density-functional theory.
― 6 min read
Learn how excited states impact materials and reactions.
― 6 min read
Researchers improve self-energy methods for better electronic behavior predictions.
― 7 min read
Ionic liquid crystals offer new prospects in energy storage and advanced materials.
― 6 min read
Researchers study electron behavior in molecules using two-color light methods.
― 4 min read
This article explains how scientists study key ions in water using computational methods.
― 4 min read
Examining low-energy dynamics of molecules near conical intersections.
― 7 min read
Discover how optical cavities change molecular behaviors and chemical reactions.
― 5 min read
Researchers reveal new findings about water's liquid phases under varying conditions.
― 6 min read
Research on silicon anodes and ionic liquids aims to improve battery performance.
― 5 min read
A novel approach enhances predictions of chemical reactions using machine learning.
― 7 min read
A new method enhances accuracy in predicting protein-ligand interactions.
― 7 min read
This study examines the X-ray absorption spectra of ammonia and ammonium in aqueous environments.
― 5 min read
PyEmbed enhances data sharing in quantum chemistry, boosting research efficiency.
― 6 min read
Study reveals how cavities influence chemical reactions through temperature and light.
― 6 min read
New methods improve molecular simulations through active learning and normalizing flows.
― 6 min read
An insight into how quantum systems behave in thermal environments.
― 6 min read
A new method improves the generation of drug-like molecules with optical isomerism.
― 8 min read
Exploring how cDFT enhances our understanding of fluid interactions and solvation.
― 6 min read
A new model enhances accuracy and efficiency in predicting electron density.
― 6 min read
Study reveals glass structure changes and behaviors when heated.
― 5 min read
Research shows how sound waves in gases can change laser technology.
― 5 min read
TrustMol enhances molecular design by improving interpretability and reliability.
― 6 min read
A look into the role of interference in molecular processes.
― 6 min read
Analyzing cyclobutanone's behavior under laser light to predict chemical transformations.
― 6 min read
Explore how the committor aids in understanding molecular reactions.
― 6 min read
Innovative cellulose films can sense pressure and humidity changes.
― 6 min read
A look into how liquids interact at surfaces and the role of line tension.
― 5 min read
A study on how spheroid shapes affect physical processes through the Dirichlet-to-Neumann operator.
― 5 min read
A new method enhances material analysis through light interactions.
― 7 min read
Scientists use computational methods to improve drug binding selectivity analysis.
― 5 min read
A new method improves simulations of light-induced chemical reactions.
― 5 min read
Innovative methods improve simulations of fermionic behavior in complex systems.
― 5 min read
Research reveals how atomic movement influences electron emission in molecules.
― 5 min read
Molecular shapes impact drug design and interactions.
― 5 min read
This study rethinks energy barriers affecting molecule transport in polymer membranes.
― 7 min read
Researchers advance room-temperature control of molecular spins for quantum technologies.
― 4 min read
Study of 2-OS reveals its potential in advanced electronic technologies.
― 5 min read
New methods enhance analysis of aqueous sulfuric acid using machine learning techniques.
― 7 min read
A look into the fast reactions of cyclobutanone under light exposure.
― 6 min read