Computational chemistry describes the use of computer modelling and simulation – including ab initio approaches based on quantum chemistry, and empirical approaches – to study the structures ...

In addition to an interest in computer modeling and statistical analysis methods, a career in computational chemistry requires patience, logical thinking, and attention to detail. “People skills” are ...

We are pleased to introduce the collection Frontiers in Chemistry – Theoretical and Computational Chemistry Editor’s Pick ...

We’re looking for highly motivated Ph.D.’s to fill two new postdoctoral associate positions in computational chemistry and who are interested in exploring conformational equilibrium of protein ...

Join our community of authors and propose your book idea for this series. This series comprises up-to-date and timely references for postgraduate students and practising chemists, covering all aspects ...

Computational Chemistry: The development and use of computational methods to simulate, study, and predict the structures, properties and reactivity of molecules and materials. Theoretical Chemistry: ...

This eBook delves into the science behind first-void urine, exploring its composition, collection methods, and the latest ...

Develop an in-demand skill set combining a technical understanding of chemistry with expertise in computers and computation. A Bachelor of Science in Computational Chemistry and Chemical Informatics ...

Nobel Prize in Chemistry highlights AI-driven breakthroughs in computational protein design and structure prediction. Tools ...

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A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has developed a new computational ...

A research team led by Yuuki Kubo and Shiji Tsuneyuki from the University of Tokyo has developed an innovative computational ...