Discover how Neural Network Potentials transform molecular simulations for researchers.
― 4 min read
A fresh method for finding optimal atomic structures using complementary energy landscapes.
― 5 min read
An overview of energy transfer processes in plants and their significance.
― 6 min read
A study on how polymers move through tiny openings in crowded settings.
― 5 min read
A look at similarity constrained coupled cluster theory's role in molecular understanding.
― 5 min read
A new model transforms retrosynthesis predictions using graph neural networks.
― 7 min read
Explore how Hagedorn wavepackets improve fluorescence studies and molecular understanding.
― 7 min read
New methods improve efficiency and accuracy in quantum system simulations.
― 5 min read
This research presents a combined approach for quicker protein movement simulations.
― 6 min read
Research uncovers key properties of aluminum monofluoride for cooling and trapping experiments.
― 5 min read
New insights into ionic liquids through machine learning and advanced simulations.
― 6 min read
Exploring proflavine's light-emitting properties in different environments.
― 6 min read
This study introduces NNBF to enhance ground state calculations in quantum chemistry.
― 6 min read
Exploring recent advancements in DFT to enhance metal simulations under varying conditions.
― 5 min read
New method enhances understanding of chemical reactions through improved data analysis.
― 6 min read
Improved methods enhance band gap predictions for lithium cobalt oxide in battery applications.
― 6 min read
A new model improves predictions for surfactant performance based on temperature.
― 5 min read
Learn how quantum tomography and ultrafast electron diffraction unveil molecular behavior.
― 5 min read
Study shows how charged particles create nano-bubbles in water.
― 5 min read
Exploring the significance and properties of water in chemical processes.
― 5 min read
Analyzing water interactions with g-CN and CN materials for catalysis and separation.
― 7 min read
This study shows how quantum computers can simulate chemical reactions.
― 6 min read
A new method sheds light on the behavior of many-electron systems over time.
― 5 min read
Study reveals chlorine's role in forming nitrogen oxides at sea-spray aerosols.
― 7 min read
Research explores methods to enhance predictions of electron-phonon interactions in materials.
― 6 min read
Calcium oscillations are vital for cell function and response.
― 6 min read
Exploring the role of reaction-diffusion models in various fields.
― 6 min read
A new method enhances machine learning models for atomic structure predictions.
― 5 min read
Examining ion interactions with solvent in varying density environments.
― 5 min read
A new method enhances simulation of molecular behavior across multiple electronic states.
― 6 min read
UPINN enhances our ability to model and predict chemotherapy drug effects.
― 6 min read
GradNav helps scientists study molecular behavior more efficiently.
― 6 min read
A look at how pressure and temperature affect water's different states.
― 4 min read
New method improves accuracy of molecular dynamics simulations under electric fields.
― 6 min read
Study reveals how thin fluorobenzene films influence methyl iodide breakdown under light.
― 5 min read
New method improves efficiency in simulating complex molecular interactions.
― 6 min read
This study looks at -hydrogen bonding between benzene, water, and ammonia.
― 5 min read
Study reveals how CO and NO form on unique ice in space.
― 7 min read
A new method for calculating electron behavior in molecules by incorporating memory.
― 6 min read
Machine learning improves predictions of band gaps, enhancing material electronic property insights.
― 6 min read