Latest Articles for Chemistry

This study enhances Density Functional Theory using new models for hard-sphere fluids.

This study examines how solvent interactions influence the energy of molecules.

Exploring the fusion of machine learning and molecular mechanics for better simulations.

This article explores soliton automata and their role in chemical state transitions.

Study examines CO2 interactions with water and hydrates under varying conditions.

This article discusses the vibrational states of methanol and their significance.

Exploring how generative AI is shaping the future of chemistry.

Learn how specialized basis sets enhance molecular property predictions.

Discover new methods for separating and measuring chiral particles.

VR technology aids in understanding molecular interactions through touch simulation.

New method improves sampling efficiency using energy functions.

A simplified approach to compute Wannier functions improves material research.

Research reveals efficient ammonia production methods through low-temperature plasmas.

A new framework improves atom representations, enhancing predictions in material science.

A look into cubic graphs and their eigenvalue properties.

Research shows how D2O affects the properties of chromonic liquid crystals.

A new method combines HPC, quantum computing, and AI for chemistry.

A look into the study of pseudo knots and their applications.

Researchers discover ways to change liquid properties using polarons.

Examining how graph properties impact chemical compounds and their behaviors.

Exploring complex behaviors in multi-component reaction-diffusion systems.

Exploring how light interacts with matter affects science and technology.

Examining how simple rules create complex patterns in biological systems.

Examining how rare earth elements influence the electrical properties of Lanthanum.

Ionizable residues influence protein function and drug discovery through their charge properties.

New tokenizers enhance molecular modeling by improving representation of chemical structures.

Innovative approaches improve the study of excited states in quantum systems.

Research on using terahertz radiation for fast electron pulses shows promising results.

Optimizing chemical research using different data sources for faster results.

New methods improve accuracy in predicting retention times using machine learning.

This article explains monotonicity and non-expansivity in reaction networks.

Corrected product formulas enhance accuracy in quantum system simulations.

Scientists refine models to study superheavy elements like Nobelium.

Research into polaritons reveals insights into light and matter interactions.

Researchers are developing new, eco-friendly polymers to replace traditional plastics.

Exploring the significance of charge transfer energy in specific correlated materials.

Exploring how tiny particles form complex structures without guidance.

Investigating light-matter interactions and their effects on chemical reactions.

A new method offers deeper insights into how light interacts with materials.

Investigating how diverse oscillators synchronize and the impact of their differences.