New insights into charge transfer processes at low temperatures.
― 5 min read
Latest Articles
Latest Articles
Scientists develop a method to study how molecules interact with their environment.
― 5 min read
A new machine learning method improves vibrational frequency calculations for molecular research.
― 4 min read
New methods improve efficiency in modeling molecular interactions using active learning.
― 7 min read
New insights into ultracold diatomic molecules reveal their potential in technology.
― 6 min read
A look into ultrafast spectroscopy's role in studying chiral molecules.
― 5 min read
Research reveals new insights into ultracold molecular interactions and stability.
― 4 min read
New insights into molecular behavior through time-dependent methods and basis sets.
― 6 min read
This study reveals errors in hydration models for metal cations and proposes solutions.
― 6 min read
Exploring the hydride ion through quantum computing techniques like VQE.
― 5 min read
A look at ECS and its impact on materials for technology advancements.
― 6 min read
Researchers use machine learning to efficiently compress wavefunctions for molecular analysis.
― 5 min read
Research on platinum complexes may improve cancer treatment and reduce side effects.
― 6 min read
Study reveals how hyaluronan interacts with specific amino acid sequences.
― 4 min read
Research explores molecular motors that use electrical current for motion.
― 4 min read
A new method combines computational techniques to study chemical reactions efficiently.
― 5 min read
Investigating exciton behavior in unique tin-based metal halides.
― 5 min read
PyQCAMS helps scientists study atom-molecule collisions efficiently.
― 5 min read
This study examines the ionization potentials of first-row transition metal aqua ions.
― 5 min read
A look at the integration of DFT and machine learning in chemical research.
― 5 min read
Study reveals the impact of initial conditions on methylhydroperoxide reactions.
― 7 min read
This article reviews recent research on ammonia's combustion dynamics and ignition delay.
― 6 min read
Explore how droplets behave on surfaces and the factors influencing their spread.
― 6 min read
A new approach to enhance DFT accuracy using kinetic energy indicators.
― 6 min read
Research introduces machine learning for ion concentration predictions in nanochannels.
― 5 min read
This article examines creep in vitrimers and strategies to mitigate it.
― 6 min read
This approach improves efficiency in studying complex quantum environments.
― 5 min read
CsPbBr nanocrystals show promise in lighting, solar energy, and more.
― 4 min read
A method for improving parameter selection in ReaxFF models using HSIC.
― 7 min read
This article examines the relationship between fluctuations and responses in nonequilibrium chemical reactions.
― 5 min read
A new algorithm uses quantum methods to detect crucial molecular energy points.
― 6 min read
Study examines how proteins interact in glycerol-water solutions under cold conditions.
― 5 min read
Colloidal diamonds show promise for light control but are hard to produce.
― 6 min read
New research shows how magnetite could influence the development of homochirality in early life.
― 7 min read
A new approach simplifies complex calculations in quantum chemistry, enhancing efficiency and accuracy.
― 5 min read
A look into quantum spectroscopy and its impact on material studies.
― 5 min read
A study on helium's three-body potential and virial coefficients reveals crucial insights.
― 5 min read
Research uncovers how sticky fluids create unique thread patterns in pitcher plants.
― 5 min read
New method enhances accuracy of ionization potentials and fundamental gaps.
― 6 min read
New models improve predictions of molecular interactions and transport processes.
― 4 min read
Examining how electrical energy affects molecular bonds in nanoelectronic devices.
― 6 min read