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 ...

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 ...

The 2024 Nobel Prize in Chemistry was partly awarded to a pioneer in the field of computational protein design. "We are on an ...

Structural biology and computational chemistry can combine to accelerate the delivery of clinical candidates with excellent overall profiles. For instance, today it is possible to use state-of-the art ...

Like Sydney Altman 1, I too was initially rejected by the renowned Medical Research Council (MRC) Laboratory of Molecular Biology in Cambridge, England. The year was 1967 and I was then in my ...

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 ...

His team is now relying on a different computational chemistry technique, also derived from quantum mechanics, known as coupled-cluster theory, or CCSD(T). "This is the gold standard of quantum ...

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 ...

Computational chemistry and chemical informatics is at the intersection of chemistry and information technology. You'll develop an in-demand skill set combining a technical understanding of chemistry ...