Research on fluorobenzene reveals insights into controlling fast chemical reactions.
― 4 min read
New simulations reveal insights into ethylene cation dynamics and reaction processes.
― 5 min read
Research on superconductors under high pressure reveals promising materials for future technologies.
― 5 min read
BICePs improves molecular behavior predictions by refining model parameters using experimental data.
― 7 min read
Study reveals new insights into hydrogel behavior under stress.
― 5 min read
Research on water's properties under high pressure and temperature reveals its complex behavior.
― 6 min read
A new method combines machine learning with coarse graining for better material modeling.
― 7 min read
Study reveals new insights into ion distribution in confined spaces.
― 7 min read
Research reveals how small molecules influence the behavior of nanotubes and nanocages.
― 6 min read
A new method enhances accuracy in calculating sublimation enthalpies for molecular crystals.
― 5 min read
Exploring the role of active learning in drug discovery through molecular docking.
― 6 min read
New methods improve molecular simulations and interactions for better accuracy.
― 6 min read
New methods improve understanding of molecular interactions and behaviors.
― 6 min read
Innovative method integrates electron density for improved molecular property predictions.
― 5 min read
Exploring how unique shapes influence battery efficiency and durability.
― 6 min read
Research on PbF reveals a complex interaction of energy levels and molecular dynamics.
― 5 min read
Research reveals new insights into molecular junctions and their applications in electronics.
― 6 min read
Research into bubble dynamics during electrolysis boosts hydrogen production efficiency.
― 7 min read
Researchers leverage machine learning to predict important Hubbard parameters for materials.
― 7 min read
Exploring the behavior of liquid crystals during phase transitions.
― 7 min read
A user-friendly software for analyzing molecular line lists in exoplanet atmospheres.
― 6 min read
Examining how quantum computing influences our grasp of molecular dynamics.
― 7 min read
These models assist scientists in generating complex 3D molecular structures for drug development.
― 7 min read
Exploring energy use and dissipation in calcium and neuronal oscillations.
― 7 min read
This study analyzes NeC70's potential energy surface and Ne atom movement.
― 6 min read
New methods improve insights into excitons for better technology applications.
― 4 min read
This article simplifies the complex world of quantum systems.
― 5 min read
New combined approach enhances molecular dynamics simulations using quantum computing and machine learning.
― 7 min read
Exploring the significance of formyl cation in interstellar environments.
― 5 min read
A new framework improves explainable AI in molecular predictions.
― 9 min read
New methods reveal system behavior from biased data in molecular dynamics.
― 6 min read
Investigating how chiral materials alter light emission rates.
― 7 min read
Exploring a new method to predict materials' excited-state properties with high accuracy.
― 6 min read
This article discusses new approaches to improve predictions in chemical reactions using technology.
― 8 min read
Researchers study C60's properties for insights into materials and quantum science.
― 5 min read
Examining the significance of two key molecules in the cosmos.
― 6 min read
Hybrid approach improves simulations of complex molecular behaviors using expert knowledge and data.
― 6 min read
Moco is vital for many enzymes involved in essential biological processes.
― 5 min read
New machine learning method improves efficiency of Koopmans spectral functional calculations.
― 7 min read
The Completely Multipolar Model offers improved insights into water's molecular behavior.
― 6 min read