P. Bunker / Science Institute / University of Iceland / /
IndustryTerm
energy barrier / lowest energy eigenvector / lowest energy barrier / chemical evolution / diffusion energy barriers / minimum energy path / physico-chemical techniques / atomic systems / energy barriers / coarse graining algorithm / well-defined crystalline systems / adsorption energy / potential energy minima / software package / search algorithm / energy difference / molecular systems / time-averaged binding energy / energy / large systems / astrochemical gas-grain models / saddle point search / excess energy / chemical reactions / minimum-mode following algorithm / desorption energy / hydrogen bond network / process energy barriers / rare-event systems / amorphous systems / diffusion energy barrier / potential energy surface / average effective energy barrier / chemical knowledge / average binding energy / realistic potential energy functions / gas phase chemistry / greenhouse-gas chemistry / chemical insight / activation energy / gas phase / saddle point search procedure / high energy barriers / /
Organization
Faculty of Science / Icelandic Research Fund / European Research Council / Institute for Molecules and Materials / Science and Science Institute / University of Iceland / /
Person
H. Linnartz / K. I. Oberg / E. F. van Dishoeck / N. J. Evans / II / V. N. Kondratyev / V / C. Salyk / Nat / G. A. Blake / H. M. Cuppen / F. Lahuis / E. C. Fayolle / L. V. Gurvich / V / S. Cazaux / V / /
Position
Private Communication / tackle / G. P. / /
Product
Tc / /
ProvinceOrState
New York / Colorado / New Hampshire / /
Technology
Lanczos algorithm / CG algorithm / coarse graining algorithm / search algorithm / thermal desorption / Metropolis Monte Carlo algorithm / minimum-mode following algorithm / simulation / /
Long-timescale simulations of diffusion in molecular solids L.J. Karssemeijer,a A. Pedersen,b H. J´onsson,b and H.M. Cuppen∗a Received Xth XXXXXXXXXX 20XX, Accepted Xth XXXXXXXXX 20XX First published on the web Xth XX