A look into how FS-VQE aids in calculating molecular excited states.
― 5 min read
Exploring how vibrational polaritons impact chemical reactions with light.
― 5 min read
A look into how C60 molecule rotations affect energy states and dynamics.
― 6 min read
Combining active learning and physical constraints improves symbolic regression results.
― 5 min read
Researchers study protein stability to improve the effectiveness of protein-based medications.
― 7 min read
Research reveals complex behaviors of polymer chains near solid surfaces.
― 6 min read
Researchers develop a method using machine learning to accurately predict molecular properties.
― 6 min read
A look into how iron-sulfur clusters aid nitrogen fixation and impact agriculture.
― 6 min read
Research shows how laser strength influences ionization in argon-water compounds.
― 4 min read
Utilizing simple models for effective exploration of chemical compounds.
― 5 min read
Exploring how quantum computing can improve drug design through interaction energy calculations.
― 5 min read
A new approach enhances DFT accuracy for strong electron correlation in iron complexes.
― 5 min read
Research unveils methods to study transition metal complexes under light exposure.
― 5 min read
Research reveals key details about molecular bonds in hydrogen fluoride trimers.
― 5 min read
Research uncovers how light affects chemical reactions in unique environments.
― 5 min read
A look at Ring Polymer Surface Hopping's role in quantum chemistry.
― 7 min read
Innovative methods reveal insights into transition metal electronic structures.
― 5 min read
New method enhances mapping of molecular transformations.
― 4 min read
A new method improves simulations in molecular energy transfer.
― 8 min read
New insights challenge assumptions about polyelectrolyte behavior under various conditions.
― 5 min read
New methods improve accuracy in modeling phase transitions in materials.
― 5 min read
A new deep neural network model makes predicting molecular interactions more efficient.
― 3 min read
This article discusses the Michaelis-Menten model and its limitations in enzyme kinetics.
― 6 min read
Examining the interplay of Moller-Plesset and DFT in quantum systems.
― 5 min read
Combining branching random walks and Metropolis sampling enhances quantum simulations.
― 6 min read
Study reveals how temperature and density affect atomic interactions in dense vapors.
― 5 min read
A novel approach identifies different molecules with similar drug functions.
― 6 min read
A look into light-matter interactions and their impact on chemical reactions.
― 6 min read
Learn about tunneling splittings and their applications in molecular behavior.
― 5 min read
Exploring new machine learning potentials for efficient atomic behavior predictions.
― 6 min read
A fresh approach to understanding chemical reactions influenced by electric potentials.
― 6 min read
A novel method enhances accuracy in energy predictions for molecular systems.
― 4 min read
Investigating copper ions in zeolites to improve catalytic processes for harmful gas reduction.
― 4 min read
Research reveals unexpected behaviors of fluids in tiny spaces, challenging traditional theories.
― 6 min read
Using entangled photons improves measurements in ultrafast spectroscopy.
― 5 min read
A virtual lab tool for researchers to optimize chemical processes using AI.
― 6 min read
Understanding AI predictions enhances trust in chemistry applications.
― 7 min read
Exploring entropy production complexities in quantum mechanics and noncommuting charges.
― 6 min read
A look at methods for synchronizing lasers to study fast chemical reactions.
― 5 min read
This study connects thermal conductivity and sound speed in various liquids.
― 5 min read