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
Exploring how chemical interactions respond to changes in concentration and environment.
― 6 min read
Exploring how polarons impact energy transfer in various materials.
― 4 min read
New biradical design improves DNP for better sensitivity in NMR spectroscopy.
― 6 min read
Enhancing molecular behavior predictions through improved potential energy surfaces.
― 5 min read
A novel approach enhances accuracy in electron interaction energy calculations using the uniform electron gas model.
― 5 min read
Advanced techniques improve how scientists study molecular behaviors in biology and chemistry.
― 6 min read
Study reveals effects of protein flexibility on cell membrane behavior.
― 5 min read
Learn how diprotic acids impact various scientific fields.
― 3 min read
Study reveals noise can create ordered states in quantum systems.
― 5 min read
A new cavity approach allows open access while achieving strong coupling with molecules.
― 5 min read
Research introduces fictitious particles to address fermion sign problems in quantum physics.
― 6 min read
A study on improving NMR efficiency through sub-sampling and inversion algorithms.
― 7 min read
Researchers combine data sources to enhance molecular property predictions efficiently.
― 7 min read
Examining the role of triplet states in innovative photosensitizers without heavy atoms.
― 7 min read
Research reveals how antifreeze proteins bind and are engulfed by ice.
― 6 min read
New methods enhance control over chemical reactions using shaped laser pulses.
― 5 min read
Research shows optical cavities can change chemical reaction behavior for improved efficiency.
― 4 min read
Research on dendrimers enhances energy capture and transfer from sunlight.
― 6 min read
New models enhance understanding and prediction of surfactant properties.
― 5 min read