Using GNNs to predict optical properties of materials improves device design.
― 5 min read
Research focuses on improving solar cell efficiency using quantum principles.
― 6 min read
A look at how DGGs improve understanding of dynamic interactions in systems.
― 5 min read
Examining how rubidium atoms and KRb molecules interact at ultracold temperatures.
― 6 min read
Researchers enhance coupled cluster methods for improved electronic structure calculations.
― 6 min read
Exploring how cavity size affects hydrogen and helium ion interactions with light.
― 7 min read
A new method offers better ways to calculate kinetic energy in electronic systems.
― 4 min read
Research highlights the promise of lead halide perovskites for efficient solar cells.
― 5 min read
This article examines the importance of Ampere interactions at small scales.
― 4 min read
A look into the Steklov problem and its impact on various fields.
― 5 min read
A new method improves predictions in drug discovery and material design using chemical-aware noise.
― 6 min read
A new model offers insights into chemical reaction mechanisms using machine learning.
― 6 min read
New methods improve efficiency in studying periodic systems for better material insights.
― 5 min read
Introducing a unified approach for analyzing electron interactions in heavy elements.
― 5 min read
Innovative techniques improve understanding of electron behaviors and interactions in materials.
― 6 min read
Quantum computing may enhance research in complex chemical systems and materials.
― 6 min read
Researchers use Tree Tensor Networks for efficient quantum system simulations.
― 6 min read
This study reveals membrane impact on energy transfer in photosynthetic bacteria.
― 6 min read
A new method enhances uncertainty measures in machine learning interatomic potentials.
― 5 min read
New methods improve the search for stable atomic arrangements.
― 5 min read
A look at new methods for predicting molecular interactions and drug binding.
― 6 min read
A new method enhances RF signal detection with diamond spin defects.
― 5 min read
Researchers simulate tiny molecular structures acting as mechanical switches for advanced applications.
― 6 min read
Examining how resetting affects particle escape times in confined channels.
― 7 min read
A look at how linear alkylamines behave in liquid form at the molecular level.
― 5 min read
New methods enhance understanding of electronic properties in materials.
― 5 min read
A new tool simplifies the creation of potential energy surfaces for chemistry research.
― 5 min read
MM-RCR enhances the prediction of optimal reaction conditions in chemical synthesis.
― 6 min read
Exploring the use of quantum kernels in predicting molecular energy surfaces.
― 5 min read
Research reveals dynamics of Rydberg states in carbon dioxide.
― 4 min read
Exploring the impact of temperature on viologen gel properties and applications.
― 4 min read
Study reveals how electrons behave during chemical reactions at the molecular level.
― 7 min read
This study enhances TDDFT calculations using multiple GPUs for larger molecular systems.
― 6 min read
Exploring geometrical perspectives on density functional theory in spin-lattice models.
― 4 min read
A new model improves understanding of electrochemical interfaces through machine learning.
― 4 min read
Research introduces a self-interaction potential to enhance Density Functional Theory predictions.
― 6 min read
Investigating the benefits of non-nested data in machine learning for quantum chemistry.
― 7 min read
UNIFAC 2.0 enhances predictions of chemical mixtures using advanced techniques.
― 5 min read
Studying quantum and classical interactions in chemical processes using NEO theory.
― 6 min read
A fresh approach reveals how proteins bond in cell membranes.
― 6 min read