A diverse group of computational chemists is encouraging the research community to embrace a sustainable software ecosystem. That's the message behind a perspective article published in the Journal of ...

The process of discovering and designing new chemicals has always been arduous—Sijia Dong wants to change that. As an assistant professor in the department of chemistry and chemical biology, with ...

Researchers are finding ways to speed up the pace of computational chemistry through cloud computing. (Illustration by Nathan Johnson / Pacific Northwest National Laboratory) A team led by researchers ...

Although much of its discovery process is descriptive and qualitative, chemistry is fundamentally a quantitative science. It serves a wide range of human needs, activities, and concerns. The ...

Computational chemistry bridges quantum mechanics, statistical mechanics and chemical intuition to predict molecular and materials behaviour from first principles. At its heart are ...

Computational chemistry of reaction pathways focuses on mapping the sequence of molecular transformations that convert reactants into products. Central to this endeavour is the construction of ...

Computing hasn’t changed fundamentally since the advent of the abacus 4,500 years ago. But that could change imminently as the world ushers in the quantum computer, a radically new type of computing ...

Materials Science Physical Chemistry Energy Synthesis Earth, Space, and Environmental Chemistry Choose from more than 200 courses in seven different categories, taught by experts in the chemistry ...

The typical four-year outline for Michigan Tech's Computational Chemistry and Chemical Informatics bachelor's degree provides a semester-by-semester guide to core courses, labs, and requirements.

A diverse group of computational chemists is encouraging the research community to embrace a sustainable software ecosystem. That’s the message behind a recent perspective article published in the ...

The National Academy of Sciences is a private, nonprofit, self-perpetuating society of distinguished scholars engaged in scientific and engineering research, dedicated to the furtherance of science ...

Dr. Zaheer Ul-Haq is directing the Computational Chemistry group at the Dr. Panjwani Center for Molecular Medicine and Drug research, University of Karachi. He obtained his PhD under the supervision ...