ICET – A Python Library for Constructing and Sampling Alloy Cluster Expansions
Ångqvist, Mattias, Muñoz, William A., Rahm, J. Magnus, Fransson, Erik, Durniak, Céline, Rozyczko, Piotr, Rod, Thomas H., Erhart, Paul
Published in Advanced theory and simulations (01.07.2019)
Published in Advanced theory and simulations (01.07.2019)
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Journal Article
Prediction of Activation Energies for Hydrogen Abstraction by Cytochrome P450
Olsen, Lars, Rydberg, Patrik, Rod, Thomas H, Ryde, Ulf
Published in Journal of medicinal chemistry (02.11.2006)
Published in Journal of medicinal chemistry (02.11.2006)
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Journal Article
The Protonation Status of Compound II in Myoglobin, Studied by a Combination of Experimental Data and Quantum Chemical Calculations: Quantum Refinement
Nilsson, Kristina, Hersleth, Hans-Petter, Rod, Thomas H., Andersson, K. Kristoffer, Ryde, Ulf
Published in Biophysical journal (01.11.2004)
Published in Biophysical journal (01.11.2004)
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Journal Article
Dynamical Accuracy of Water Models on Supercooling
Farmer, Thomas O, Markvardsen, Anders J, Rod, Thomas H, Bordallo, Heloisa N, Swenson, Jan
Published in The journal of physical chemistry letters (17.09.2020)
Published in The journal of physical chemistry letters (17.09.2020)
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Journal Article
LEAPS data strategy
Götz, Andy, le Gall, Erwan, Konrad, Uwe, Kourousias, George, Knodel, Oliver, Matalgah, Salman, Matilla, Oscar, Spruce, Darren, Orti, Ana Valceril, Ounsy, Majid, Rod, Thomas H., Schluenzen, Frank
Published in European physical journal plus (17.07.2023)
Published in European physical journal plus (17.07.2023)
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Journal Article
Guidelines for collaborative development of sustainable data treatment software
Wuttke, Joachim, Cottrell, Stephen, Gonzalez, Miguel A., Kaestner, Anders, Markvardsen, Anders, Rod, Thomas H., Rozyczko, Piotr, Vardanyan, Gagik
Published in Journal of neutron research (01.01.2022)
Published in Journal of neutron research (01.01.2022)
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Journal Article
Dynamics of Water Molecules in the Active-Site Cavity of Human Cytochromes P450
Rydberg, Patrik, Rod, Thomas H, Olsen, Lars, Ryde, Ulf
Published in The journal of physical chemistry. B (17.05.2007)
Published in The journal of physical chemistry. B (17.05.2007)
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Journal Article
Hardware Aspects, Modularity and Integration of an Event Mode Data Acquisition and Instrument Control for the European Spallation Source (ESS)
Gahl, Thomas, Hagen, Mark, Hall-Wilton, Richard, Kolya, Scott, Koennecke, Mark, Rescic, Miha, Rod, Thomas H, Sutton, Iain, Trahern, Garry, Kirstein, Oliver
Year of Publication 07.07.2015
Year of Publication 07.07.2015
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Journal Article
Hardware Aspects, Modularity and Integration of an Event Mode Data Acquisition and Instrument Control for the European Spallation Source (ESS)
Gahl, Thomas, Hagen, Mark, Hall-Wilton, Richard, Kolya, Scott, Koennecke, Mark, Rescic, Miha, Rod, Thomas H, Sutton, Iain, Trahern, Garry, Kirstein, Oliver
Published in arXiv.org (07.07.2015)
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Published in arXiv.org (07.07.2015)
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