Quantum Molecular Science in the world

United Kingdom

In the past there have been quite good job opportunities from the pharmaceutical industry for computational chemists in the UK. There have been not so many of these jobs recently and several promising theoretical chemistry students and postdocs have been lost to lucrative financial jobs in London.

Theoretical chemistry is an important element of the curriculum in most major UK chemistry departments which typically have an intake of 70-100 undergraduate students each year. Many undergraduate students have only weak mathematical ability and several departments have to put on extra classes to make up for this deficiency. Some undergraduates undertake a research project on theoretical or computational chemistry in their fourth year. PhDs take 3-4 years and the number taking up projects involving quantum molecular sciences is quite buoyant especially for projects with applications where it is easier to win research funds. There are some major national computational facilities but the increasing emphasis is on local clusters.

The Netherlands

Computational facilities are generally good to excellent. There is good national policy via the NWO foundation “National Computer Facilities”. For funding of Ph. D. students and postdocs, the theoreticians have to compete with all other chemists at the National Science Foundation NWO; they are reasonably successful

Elementary theoretical chemistry (“chemical bonding”) courses take an important place in all bachelor programmes at all universities. Computational Chemistry courses are either obligatory in the bachelor programme, or optional at either the bachelor or master level.

The interest of Dutch students has shifted away from the physical directions within chemistry to particularly biological directions, and some materials science and catalysis. The total number of chemistry students has dropped very much (ca. 30% of levels before 1990). It is difficult to finding good Ph. D. students, typically al least 50% are foreigners. So Ph.D. positions are plentiful for good students. There are fewer postdoctoral positions available due to the funding system, which is geared towards Ph. D. student support. Furthermore, there are good opportunities for funding for young people due to an extensive programme of grants for young people, with the top being formed by grants of ca. 1.2 M Euro for rising stars (limit 10 years after Ph. D.). But there are not many permanent positions at university available afterwards for these people.

The Dutch National Science Foundation (NWO) branch for chemistry has a “study group” for Spectroscopy and Theory. It organizes yearly meetings of the Theoretical Chemistry in The Netherlands, which are well attended. The group can influence science policy by giving advice to the overall Board of Chemical Sciences at NWO.

Theoretical chemistry is fully recognized as one of the modern fields in chemistry. But it still tends to be judged by the wider community of experimental chemists by its “usefulness” in collaborations with experimentalists. Such collaborations occur frequently. The intrinsic value of Theoretical Chemistry as study of the quantum mechanical nature of the motions of electrons and nuclei in molecules and materials is little recognized by chemists; they do appreciate the applications, though.

For The Netherlands the overruling concern is the lack of enthusiasm among the students, which is compounded by the poor enrolment in chemistry in general. Theoretical chemistry has no special problems compared to the other fields of chemistry – but funding of more stipends, travel and short term visits, etc. for all branches of chemistry would be welcome.

Belgium

Financing comes from the universities and from various research institutions (Belgian and European). The “Fonds National de la Recherche Scientifique” and the “Fonds Wetenschappelijk Onderzoek” are aware of the importance of supercomputers for the whole field of pure and applied science

As in many countries, most of the chemistry students have a weak background in mathematics and in physics and have little interest in theory. A career in quantum chemistry appears highly problematic. The messages sent by the authorities (both governmental and academic) – and also by other colleagues – put the emphasis on directly “useful” chemistry. Many postdoctoral fellowships are awarded to Asiatic applicants because no European candidate is available.

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