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
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