A look at how pressure and temperature affect water's different states.
― 4 min read
New method improves accuracy of molecular dynamics simulations under electric fields.
― 6 min read
Study reveals how thin fluorobenzene films influence methyl iodide breakdown under light.
― 5 min read
New method improves efficiency in simulating complex molecular interactions.
― 6 min read
This study looks at -hydrogen bonding between benzene, water, and ammonia.
― 5 min read
Study reveals how CO and NO form on unique ice in space.
― 7 min read
A new method for calculating electron behavior in molecules by incorporating memory.
― 6 min read
Machine learning improves predictions of band gaps, enhancing material electronic property insights.
― 6 min read
Research uncovers links between shapes of porous materials and their chemical reactions.
― 7 min read
Investigating how radiation dose rates affect hydroxyl radical formation.
― 5 min read
Grappa enhances molecular predictions with machine learning techniques for better efficiency.
― 7 min read
A new approach improves atomic interaction descriptors with geodesic distance.
― 5 min read
MiMiC enables complex simulations of molecular interactions at multiple scales for better insights.
― 6 min read
A study on how carboxylate ligands affect the properties of lead sulfide nanocrystals.
― 6 min read
Exploring the significance of the hydroxyl radical in various chemical processes.
― 4 min read
Exploring how quantum mechanics impacts chemical reactions and their behaviors.
― 6 min read
A look into the photoionization process of ammonia and formic acid dimers.
― 6 min read
This article discusses how electric fields affect chemical reactions in solutions.
― 6 min read
This article discusses the impact of LLMs on chemical research and education.
― 6 min read
Research reveals how palladium nanocrystals adapt to strain during phase transformations.
― 6 min read
HEroBM improves accuracy in backmapping coarse-grained molecular simulations.
― 7 min read
Researchers use GPUs to speed up quantum particle simulations effectively.
― 6 min read
Exploring autocatalytic networks and their role in chemical processes and life.
― 5 min read
CACTUS combines LLMs and cheminformatics to aid drug discovery and molecular analysis.
― 6 min read
A new theory improves solid-state NMR analysis by accommodating non-periodic Hamiltonians.
― 4 min read
Examining how FRET reveals insights into molecular dynamics and behavior.
― 7 min read
New methods enhance accuracy in electron interactions for chemistry and physics.
― 8 min read
Exploring how quantum algorithms enhance our study of chemical reaction rates.
― 6 min read
A new model enhances our understanding of membrane behavior in living systems.
― 7 min read
New quantum-inspired methods enhance molecular docking for drug discovery.
― 5 min read
A new approach enhances electron interaction calculations, making them faster and less memory-intensive.
― 5 min read
Research on how light affects energy transfer in molecules offers new insights.
― 6 min read
Recent research reveals how light and molecules interact in cavities, leading to new states.
― 4 min read
Research reveals key links between atom movements and electron behavior in CsSnBr.
― 5 min read
Study reveals intricate energy states of tetracene post-UV excitation.
― 6 min read
Explore how information theory enhances our knowledge of materials behavior.
― 4 min read
New cathode material shows promise for sodium-ion batteries.
― 5 min read
A new approach combines machine learning and physical models for better molecular simulations.
― 4 min read
A new method improves parameter optimization for ReaxFF in studying molecular interactions.
― 6 min read
HSILs offer clear advantages in studying zeolite formation and synthesis processes.
― 7 min read