DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations
Kästner, Johannes, Carr, Joanne M, Keal, Thomas W, Thiel, Walter, Wander, Adrian, Sherwood, Paul
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.10.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.10.2009)
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Recent upgrades to the Met Office convective‐scale ensemble: An hourly time‐lagged 5‐day ensemble
Porson, Aurore N., Carr, Joanne M., Hagelin, Susanna, Darvell, Rob, North, Rachel, Walters, David, Mylne, Kenneth R., Mittermaier, Marion P., Willington, Steve, Macpherson, Bruce
Published in Quarterly journal of the Royal Meteorological Society (01.10.2020)
Published in Quarterly journal of the Royal Meteorological Society (01.10.2020)
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Energy landscapes and persistent minima
Carr, Joanne M, Mazauric, Dorian, Cazals, Frédéric, Wales, David J
Published in The Journal of chemical physics (07.02.2016)
Published in The Journal of chemical physics (07.02.2016)
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Journal Article
Finding pathways between distant local minima
Carr, Joanne M, Trygubenko, Semen A, Wales, David J
Published in The Journal of chemical physics (15.06.2005)
Published in The Journal of chemical physics (15.06.2005)
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Journal Article
Energy landscapes of a hairpin peptide including NMR chemical shift restraints
Carr, Joanne M, Whittleston, Chris S, Wade, David C, Wales, David J
Published in Physical chemistry chemical physics : PCCP (21.08.2015)
Published in Physical chemistry chemical physics : PCCP (21.08.2015)
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