Mark Warne, a computational chemist at Tripos Discovery Research in Bude, says he routinely speaks at conferences and to audiences as diverse as bankers and biologists.
She is a physicist and he is a computational chemist.
Keijzer was a computational chemist, using large-scale simulations to study small-molecule reactions involving metals.
Dr. Kamel Mansouri is a computational chemist who obtained an engineering degree in analytical chemistry from the University of Tunis, Tunisia, an M.S. degree in cheminformatics from the University of Strasbourg, France, and a Ph.D. in computational chemistry from the University of Milano Bicocca, Italy.
"It's using the principles of theory to essentially carry out an experiment in silico," said John Straub, a computational chemist at Boston University.
As well as analytical and computational chemists, the company, with a work force of over 10,000, looks for synthetic organic chemists, medicinal chemists, and combinatorial chemists to join their research teams.
As Head-Gordon says, "A computational quantum chemist can do research that ranges from curiosity driven work on fundamental problems in a university setting to software development and commercialization".
Although not explained in the figure caption, an experienced (human) computational chemist can nevertheless infer the semantics that these are normal vibrational mode displacement vectors.
Irrespective of the starting material database, we obtained a good agreement between average of medicinal and computational chemist scores for the ensemble of compounds; as well as between all chemists and SYLVIA SA scores with a correlation of 0.7.
