A new model, XPaiNN, enhances predictions in quantum chemistry using machine learning approaches.
― 7 min read
Research focuses on polymer electrolytes to enhance solid-state battery performance and safety.
― 5 min read
Explore the significance of geminal theory in electron interactions and chemical bonding.
― 5 min read
Research reveals new insights into low-temperature interactions of ArH with electrons.
― 6 min read
Research enhances models for deep eutectic mixtures with unique properties.
― 6 min read
New techniques improve efficiency in sampling and energy calculations for quantum chemistry.
― 6 min read
Exploring the role of excited states in chemical reactions and electron behavior.
― 5 min read
Learn how solvents influence the behavior of different substances.
― 6 min read
mBLOR functional enhances Density Functional Theory for better material predictions.
― 6 min read
A machine learning approach streamlines molecular structure prediction from NMR data.
― 6 min read
New database enhances predictions of molecular properties in various environments.
― 5 min read
A look into the behavior and importance of helical wormlike chains.
― 6 min read
A fresh approach to understanding charge dynamics in batteries and electronics.
― 6 min read
Exploring how particle size affects photoluminescence in materials for energy applications.
― 6 min read
Quantum computers offer new ways to study molecular properties, despite facing challenges.
― 6 min read
Research on light and molecular interactions leads to improved simulation techniques.
― 6 min read
New methods improve molecule creation for drugs and materials.
― 8 min read
Examining how helium escapes from water reveals unique gas behavior.
― 6 min read
This article discusses how electron energies affect chemical reactions and material properties.
― 6 min read
Research combines machine learning and molecular science to improve laser interaction insights.
― 7 min read
A new method enhances accuracy in calculating molecular energy differences.
― 5 min read
How machine learning transforms the study of molecular properties and behaviors.
― 6 min read
Spin crossover materials offer unique behaviors with applications in technology.
― 5 min read
New method reduces measurement counts in quantum computing through flexible operator grouping.
― 6 min read
New methods improve electron behavior modeling using machine learning techniques.
― 5 min read
Active materials can change behavior through communication, mimicking life-like responses.
― 5 min read
This article examines how water interacts with magnetite at a molecular level.
― 4 min read
New methods enhance predictions for nuclear fission processes and behaviors.
― 6 min read
A new approach to improve particle behavior simulations in dense media.
― 5 min read
Research explores targeted radiation therapy using low-energy electron emission from calcium ions.
― 6 min read
Recent studies reveal charge transfer can occur in just a few femtoseconds.
― 5 min read
New insights into how coronene fragments into smaller hydrocarbons and carbon clusters.
― 4 min read
Explore the significance of PAHs in the universe's chemical processes.
― 5 min read
Investigating how hydrogen atoms lose energy when interacting with metal surfaces.
― 5 min read
This guide provides essential steps for submitting a research article.
― 5 min read
Research reveals significant insights into RaF's ionization potential and molecular properties.
― 6 min read
Study reveals how water impacts X-ray radiation effects on pyrimidine molecules.
― 5 min read
Explore how chemical bonds form and break during reactions.
― 5 min read
NI-DUCC offers efficient calculations for molecular studies using quantum computers.
― 6 min read
New methods reveal insights into molecular behavior and reactions using XFEL technology.
― 5 min read