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Quantum computing is likely to have far-reaching impact on different fields such as chemistry, optimization and artificial intelligence. In this talk, we start by a brief overview of quantum computing and then present an application of quantum computing to solve an important problem, called “conformational search”, in chemistry. For the conformational search problem, we propose a variable neighbourhood search heuristic where using the structure of a molecule, neighbourhoods are chosen to allow for optimization using a binary quadratic optimizer. The proposed method is well-suited for the use of devices such as quantum annealers. After carefully defining neighbourhoods, the method easily adapts to the size and topology of these devices.

Senior Research Scientist at 1QBit