Exploring how cDFT enhances our understanding of fluid interactions and solvation.
― 6 min read
Latest Articles
Latest Articles
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
Examining how cyclobutanone reacts under light exposure using simulations.
― 4 min read
Studying how cyclobutanone reacts to light reveals key insights into photochemistry.
― 6 min read
Examining how cyclobutanone reacts when exposed to light.
― 6 min read
Examining how HCOO affects pollutants and OH radicals in the atmosphere.
― 5 min read
This article explores cyclobutanone's behavior under light using quantum dynamics simulations.
― 6 min read
Researchers study strong coupling to reveal new material properties through light interaction.
― 5 min read
Examining new methods for studying light-matter interactions in different systems.
― 6 min read
New method enhances molecular model accuracy through automated parameter refinement.
― 6 min read
Innovative techniques improve modeling of molecular interactions and dynamics.
― 5 min read
Simulations reveal products formed from cyclobutanone when exposed to light.
― 5 min read
Research reveals how light influences molecule behavior and magnetic properties in optical cavities.
― 5 min read
New method enhances efficiency in studying molecular quantum behavior.
― 7 min read
An overview of nanocrystals and their role in light technologies.
― 7 min read
A model integrates knowledge from molecules to improve predictions in science.
― 5 min read
Sort Slice improves how chemical data is processed using extended-connectivity fingerprints.
― 5 min read
Discovering efficient routes of atomic movement in chemical processes.
― 5 min read
New training method enhances stability and accuracy in molecular dynamics simulations.
― 7 min read
Machine learning enhances accuracy in predicting chemical properties using adaptive hybrid density functionals.
― 6 min read
New automated approach simplifies studying exoplanet atmospheres and their chemical reactions.
― 6 min read
Examining how excitons impact DNA's energy dynamics and genetic stability.
― 5 min read
Exploring self-consistency training's role in enhancing Hamiltonian prediction for molecular properties.
― 6 min read
GeoBFN addresses key challenges in generating accurate 3D molecular structures.
― 6 min read
A look into charge transfer processes on surfaces using advanced methods.
― 6 min read
Research on how water changes states reveals surprising complexities.
― 6 min read