Researchers from The University of New Mexico and Los Alamos National Laboratory have developed a novel computational ...

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 ...

The world of cells is surprisingly noisy. Each cell carries unique genetic information, but when we try to measure cellular ...

The field of linear algebra is fundamental to many areas of science and engineering, and the quest for accurate computation methods has gained increasing importance in recent years. Recent advances ...

Conceptual illustration of transition state searches. Points along the reaction path (often called images, metaphorically represented by person) are incrementally updated to find a transition state ...

A new computational method can identify how cause-and-effect relationships ebb and flow over time in dynamic real-life systems such as the brain. The method was reported today in a Reviewed Preprint ...

The new method can determine crystal structures underlying experimental data thus far difficult to analyze. A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has ...