The Completely Multipolar Model offers improved insights into water's molecular behavior.
― 6 min read
NeuralSCF combines machine learning with DFT for efficient electronic structure analysis.
― 5 min read
Explore the latest features and applications of the ipie package for AFQMC.
― 4 min read
A new method enhances molecular discovery using evolutionary algorithms and language models.
― 5 min read
Research reveals complex electron transfer behaviors in optical cavity environments.
― 5 min read
eCOMO offers a new way to study controlled molecules in various scientific fields.
― 5 min read
This work explores how molecules charge fractionally when interacting with their environments.
― 6 min read
New methods improve predictions of how molecules absorb and emit light.
― 6 min read
Exploring how molecules escape from ice in the cold universe.
― 6 min read
Exploring the dynamics and challenges of crystallization through nucleation.
― 7 min read
CF+ contributes to our understanding of chemistry in space environments.
― 5 min read
Research reveals how light affects molecular behavior in special environments.
― 6 min read
CS offers insights into the chemical processes in comets and sulfur origins.
― 5 min read
Research reveals lower binding energy of benzene on water ice, impacting space chemistry.
― 5 min read
FreeCG enhances molecular modeling by improving efficiency and accuracy.
― 6 min read
A new method improves charge transport simulations in organic semiconductors, aiding device design.
― 6 min read
Exploring Monte Carlo methods to study the behavior of glass-forming liquids.
― 8 min read
New multichannel NMR systems improve efficiency and sensitivity for chemical analysis.
― 5 min read
Exploring the link between chirality and NMR techniques in molecular studies.
― 5 min read
A new method for better electron function localization in materials.
― 6 min read
Streamlining calculations for heavy elements in quantum chemistry.
― 5 min read
Discover how machine learning predicts outcomes of atomic interactions.
― 6 min read
Research reveals new insights into Strontium and Yttrium from neutron star collisions.
― 5 min read
Learn about factors influencing desiccation cracks in drying clay materials.
― 5 min read
A novel technique improves our grasp of light’s effect on molecular behavior.
― 6 min read
Research reveals complex interactions in spin relaxation and their implications.
― 7 min read
This article introduces a new approach for studying electron transfer reactions under strong electronic coupling.
― 6 min read
Discover how light interacts with matter through advanced quantum theories.
― 6 min read
This study examines how antiprotons influence hydrogen-like ions under magnetic fields.
― 4 min read
A look into how polymer chain behavior affects material performance.
― 5 min read
TPDH-graphene shows promise in enhancing lithium-ion battery performance and longevity.
― 5 min read
New methods improve simulation of fermion dynamics in various systems.
― 4 min read
Investigating heavy atom molecules to uncover fundamental questions in physics.
― 7 min read
MolTRES enhances chemical prediction by integrating knowledge and innovative training methods.
― 6 min read
Machine learning enhances prediction of activity coefficients in chemical mixtures.
― 6 min read
Data and machine learning are transforming how scientists find new materials.
― 6 min read
New methods improve efficiency and accuracy in electronic structure modeling.
― 6 min read
Examining the interactions of quantum rotors within Bose-Einstein condensates.
― 5 min read
A new dataset accelerates molecular property predictions for drug design.
― 5 min read
Quantum computing techniques improve calculations of molecular energies.
― 6 min read