Research explores polaritons and their unique properties in specially designed cavities.
― 8 min read
This article examines how nuclear quantum effects shape water's electrical properties.
― 6 min read
This study highlights the behavior and potential applications of Janus colloids in various fields.
― 6 min read
Examining how data quality impacts machine learning models in predicting molecular behavior.
― 8 min read
Combining machine learning and OFDFT enhances molecular analysis efficiency and accuracy.
― 6 min read
This article explores a model for electron removal from molecular anions via light.
― 7 min read
This study enhances extractant design methods for better metal recovery efficiency.
― 7 min read
Iodinenes offer unique properties for future technological advancements.
― 5 min read
New basis sets improve calculations for heavy elements, enhancing material property predictions.
― 6 min read
This article covers key aspects of laser physics and its various applications.
― 6 min read
NAG2G enhances the process of predicting reactants for compound synthesis.
― 5 min read
This article examines how different solvents influence molecule behavior and shape changes.
― 6 min read
This article discusses how phonons impact molecules on solid surfaces during chemical reactions.
― 6 min read
Researchers enhance TDDFT methods for better understanding of double excitations in molecular systems.
― 4 min read
Discovering how phosphorus compounds form and evolve in the universe.
― 6 min read
Research on hydrogen in silsesquioxane cages offers insights for quantum technology.
― 5 min read
Innovative approaches enhance understanding of molecular structures and their properties.
― 5 min read
Language models enhance efficiency in discovering new molecules for drug development.
― 6 min read
Examining how small polarons influence material behavior for electronics and energy.
― 5 min read
A study on computational methods for analyzing conical intersections in excited states.
― 7 min read
New insights into electron behavior promise better technology and medical applications.
― 5 min read
DBBSC offers a fresh approach to improve calculations in quantum chemistry.
― 5 min read
Researchers develop a new framework to predict molecular conformations more accurately.
― 7 min read
Explore the impact of spin-orbit coupling on electronic properties and applications.
― 5 min read
Research explores how water impacts charge transfer in insulating materials.
― 5 min read
Examining how temperature affects the movement of liquid mixtures.
― 6 min read
Examining fluid movement driven by temperature differences in near-critical binary mixtures.
― 5 min read
Explore how partial charges impact molecules and chemical bonds.
― 5 min read
Researchers develop a model that enhances stability in molecular dynamics simulations.
― 6 min read
A machine learning model improves predictions of complex molecular properties based on SMILES code.
― 7 min read
Using analog quantum computing to improve water molecule predictions around proteins for drug design.
― 5 min read
Research combines simulations and machine learning to predict redox potentials in metals.
― 5 min read
Research reveals insights on water interactions with metal oxide surfaces.
― 5 min read
A new method for studying magnetic behavior in binuclear complexes is proposed.
― 6 min read
Exploring the behavior of electrolytes under non-equilibrium conditions and its implications.
― 5 min read
New research improves liquid-liquid extraction methods for efficient material recovery.
― 6 min read
A look at QM7b and QM9 datasets for molecular property prediction.
― 6 min read
Recent studies improve estimates of carbon monoxide adsorption energy on magnesium oxide surfaces.
― 6 min read
Exploring active matter and its role in movement and energy interactions.
― 6 min read
Researchers develop an improved model for molecular interactions using atomic properties.
― 5 min read