Neutrons and Simulations

Join us for an in person one-day workshop dedicated to the powerful synergy between neutron techniques and computational simulations in the field of catalysis. This event is designed for both newcomers and experienced researchers interested in how neutron scattering methods—such as inelastic and quasielastic neutron scattering, neutron diffraction, and spectroscopy—can be complemented and enhanced by computational approaches like Density Functional Theory (DFT), QM/MM, and molecular dynamics. It is aimed at all experience levels

Through a series of talks, discussions, and networking opportunities, we will explore:

• How neutron techniques provide unique insights into catalytic structure, dynamics, and mechanisms.
• The role of simulations in interpreting neutron data and predicting catalytic behaviour.
• Case studies demonstrating the integration of experimental and computational methods.
• Opportunities for collaboration and access to facilities and resources.

Speakers include:

Dr. Maciej Bartkowiak, ISIS Neutron and Muon Source

Prof. Richard Catlow, Cardiff/UCL

Dr. Arunabhiram Chutia, Lincoln

Dr. Marta Falkowska, University of Manchester

Dr. Adam Jackson, STFC Scientific Computing

Dr. Alexander O'Malley, Bath

Dr. Sarah Rogers, ISIS Neutron and Muon Source

Dr. Ian Silverwood, ISIS Neutron and Muon Source

Mr. Lewis Waller, Southampton

Whether you're looking to expand your toolkit or deepen your understanding of these complementary approaches, this workshop offers a valuable platform to connect, learn, and innovate.