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Research Fellows Directory

George Booth

Dr George Booth

Research Fellow


King's College London

Research summary

It has been said that if you ask ‘why?’ to most questions more than once or twice, you end up having to explain the world of quantum mechanics. How these quantum particles (generally electrons) behave on the length scales of individual atoms, has huge ramifications for the world around us, directly influencing the answers to some of the most basic questions such as ‘why is the sky blue?’ and ‘why is water a liquid?’. But this extends beyond curiosity-driven questions, and takes on real significance, when questions such as ‘what is the rate of this proposed chemical reaction?’ or ‘what is the electrical conductivity of this new material?’ are posed.

However, if we try to delve into the quantum regime to answer these questions from their underlying quantum principles, we quickly find that this is a task that is all but impossible in a brute force approach. My research takes these known, underlying physical quantum principles, and aims to develop computational tools to make it possible to extract answers to some of these questions. This spans problems from materials science, quantum matter, and molecular chemistry. This could make a real impact on many areas of science if reliable computational approaches for a wide cross-section of systems could be routinely used to probe this quantum realm.

To this end, my research group develops scalable computational approaches for both extended and molecular systems, spanning techniques such as quantum Monte Carlo, perturbative approaches and quantum embedding, applied to both realistic and model systems.

Interests and expertise (Subject groups)

Grants awarded

Bringing Wavefunction-Based Computational Methods to the Solid State

Scheme: University Research Fellowship

Dates: Oct 2014 - Sep 2019

Value: £447,609.53

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