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 ...

A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

New AI memory method lets models think harder while avoiding costly high-bandwidth memory, which is the major driver for DRAM ...

Meshfree methods have emerged as a powerful alternative to traditional finite element approaches by eliminating the reliance on fixed meshes for domain discretisation. These techniques, which include ...

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 ...

The world of cells is surprisingly noisy. Each cell carries unique genetic information, but when we try to measure cellular activity, signals can be lost or blurred, and differences between ...

Scientists at La Jolla Institute for Immunology (LJI) have developed a new computational method for linking molecular marks on our DNA to gene activity. Their work may help researchers connect genes ...

WEST LAFAYETTE, Ind. — With recent advances, cancer research now generates vast amounts of information. The data could help researchers detect patterns in cancer cells and stop their growth, but the ...

Introduction to a wide range of computational techniques for engineering design. Modeling, simulation, optimization, design software, examples/projects with emphasis on computational techniques for ...