A new computational technique allows researchers to model biological processes with better accuracy and at a lower computational cost.
Computational chemistry is key to understanding the unusual properties of eumelanin.
Computer simulations provide a better means of optimizing, predicting, and understanding experimental observations in the search for new battery materials.
High-throughput computational materials screening is turning out to be an efficient highway to optoelectronic semiconductor design.
The future will witness a gradual shift in which computational models will play a progressively larger role in identifying new materials for specific purposes.
New quantum algorithms will have dramatic impact in computational molecular biology and bioinformatics and promise to impact a number of life science applications.
The local vibrational mode theory has raised vibrational spectroscopy to a new level.
Convolutional neural networks provide stronger predictive performances for pharmacological assays compared to traditional machine learning models.
Computer modeling decodes the chemistry carried out by complex DNA repair enzymes to remove DNA damage caused by environmental exposure.
Computational screens allow researchers to efficiently determine how different elemental combinations can alter material properties to quickly identify 2D materials for next generation battery anodes.