Exploring TDHF methods and quantum computing for dynamic electron system simulations.
― 6 min read
A new method provides upper bounds for reaction rates in chemical networks.
― 5 min read
Exploring the significance of ionization potentials in chemistry and physics.
― 6 min read
New techniques improve energy calculations for large molecules with reduced errors.
― 6 min read
Delving into the complex relationship between light and matter in polaritonic chemistry.
― 8 min read
Exploring the properties of BiP triphosphide for electronic devices.
― 8 min read
Research on americium sesquioxide reveals key insights for nuclear energy technologies.
― 5 min read
Study reveals how CO behaves during collisions with He, impacting astronomy and atmospheric science.
― 5 min read
This study investigates exciton behavior in semiconductor nanocrystals within optical cavities.
― 5 min read
Researchers achieve progress in preparing molecular ions for precise experiments.
― 6 min read
Introducing a novel method to improve calculations of electron behavior in complex molecules.
― 4 min read
New approach reveals kinase dynamics and drug design insights.
― 7 min read
Combining 2D and 3D models boosts molecular property prediction accuracy.
― 6 min read
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