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Research Fellows Directory

David Tew

Dr David Tew

Research Fellow

Organisation

University of Bristol

Research summary

The field of theoretical chemistry has developed to the point

where it is now often possible to use computers to accurately

predict the outcome of chemical experiments.

Increasingly, computation is used as a powerful and independent

probe for investigating chemical phenomena, and is

an excellent complement to experimental work since calculations

can in many cases provide details that are otherwise inaccessible.

Much effort is therefore spent on developing the theory to push

the boundaries of accuracy and efficiency so that reliable

predictions can be made for a wider range of chemical problems.

In general, the largest contribution and the one most important

to get right, comes from changes in the energy of the electrons in the molecule.

My research has been concerned with finding ways to exploit

the known physics for the way in which electrons behave when they

come close together. By designing methods that include these

constraints explicitly, electronic energies can be computed

accurately with much less effort than was previously possible.

Interests and expertise (Subject groups)

Grants awarded

Condensed Phase Quantum Dynamics

Scheme: University Research Fellowship

Dates: Oct 2014 - Sep 2017

Value: £319,464.50

Computational tools for quantum molecular dynamics

Scheme: University Research Fellowship

Dates: Nov 2009 - Sep 2014

Value: £507,015.42

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