Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Computational models and simulations have had an important role in engineering analysis since as far back as the 1960s. It is widely recognized that the use of modeling and simulation tools can make ...

Carbon capture and storage (CCS) project sanctioning requires reasonable estimates of CO 2 storage volume and plume migration in the reservoir. Numerical simulation based on geological data provides ...

Designers need powerful tools and methods to address the challenges of modern design. Computational design combines art and algorithms to support and enhance the design process. It can pave the way ...

LA JOLLA, CA—Hitting targets embedded within the cell membrane has long been difficult for drug developers due to the membrane’s challenging biochemical properties. Now, Scripps Research chemists have ...