• Daniel Nurkowski

Full List of Preprints co-authored by Daniel Nurkowski.

294: OntoPESScan: An Ontology for the Exploration of Potential Energy Surfaces

Angiras Menon, Laura Pascazio, Daniel Nurkowski, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 294, c4e-Preprint Series, Cambridge, 2022.

292: Automated Rational Design of Metal-Organic Polyhedra

Aleksandar Kondinski, Angiras Menon, Daniel Nurkowski, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 292, c4e-Preprint Series, Cambridge, 2022.

286: Question Answering System for Chemistry – a semantic agent extension

Xiaochi Zhou, Daniel Nurkowski, Angiras Menon, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 286, c4e-Preprint Series, Cambridge, 2021.

268: Predicting power conversion efficiency of organic photovoltaics: models and data analysis

Andreas Eibeck, Daniel Nurkowski, Angiras Menon, Jiaru Bai, Jinkui Wu, Li Zhou, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 268, c4e-Preprint Series, Cambridge, 2021.

266: A Question Answering System for Chemistry

Xiaochi Zhou, Daniel Nurkowski, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 266, c4e-Preprint Series, Cambridge, 2021.

259: Modelling investigation of the thermal treatment of ash-contaminated particulate filters

Chung Ting Lao, Jethro Akroyd, Alastair Smith, Neal M. Morgan, Kok Foong Lee, Daniel Nurkowski, and Markus Kraft, Technical Report 259, c4e-Preprint Series, Cambridge, 2020.

236: Linking Reaction Mechanisms and Quantum Chemistry: An Ontological Approach

Feroz Farazi, Nenad Krdzavac, Jethro Akroyd, Sebastian Mosbach, Angiras Menon, Daniel Nurkowski, and Markus Kraft, Technical Report 236, c4e-Preprint Series, Cambridge, 2019.

228: Investigation of the impact of the configuration of exhaust after-treatment system for diesel engines

Chung Ting Lao, Jethro Akroyd, Nick A. Eaves, Alastair Smith, Neal M. Morgan, Daniel Nurkowski, Amit Bhave, and Markus Kraft, Technical Report 228, c4e-Preprint Series, Cambridge, 2019.

223: An ontology and semantic web service for quantum chemistry calculations

Nenad Krdzavac, Sebastian Mosbach, Daniel Nurkowski, Philipp Buerger, Jethro Akroyd, Jacob W. Martin, Angiras Menon, and Markus Kraft, Technical Report 223, c4e-Preprint Series, Cambridge, 2019.

218: OntoKin: An Ontology for Chemical Kinetic Reaction Mechanisms

Feroz Farazi, Jethro Akroyd, Sebastian Mosbach, Philipp Buerger, Daniel Nurkowski, and Markus Kraft, Technical Report 218, c4e-Preprint Series, Cambridge, 2019.

216: An assessment of the viability of alternatives to biodiesel transport fuels

Rebecca Kächele, Daniel Nurkowski, Jacob W. Martin, Jethro Akroyd, and Markus Kraft, Technical Report 216, c4e-Preprint Series, Cambridge, 2018.

175: Theoretical study of the Ti-Cl bond cleavage reaction in TiCl4

Daniel Nurkowski, Ahren W. Jasper, Jethro Akroyd, and Markus Kraft, Technical Report 175, c4e-Preprint Series, Cambridge, 2016.

163: A kinetic mechanism for the thermal decomposition of titanium tetraisopropoxide

Philipp Buerger, Daniel Nurkowski, Jethro Akroyd, and Markus Kraft, Technical Report 163, c4e-Preprint Series, Cambridge, 2015.

160: Skeletal chemical mechanism of high-temperature TEOS oxidation in hydrogen-oxygen environment.

Daniel Nurkowski, Philipp Buerger, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 160, c4e-Preprint Series, Cambridge, 2015.

151: First-principles thermochemistry for the thermal decomposition of titanium tetra-isopropoxide

Philipp Buerger, Daniel Nurkowski, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 151, c4e-Preprint Series, Cambridge, 2015.

147: Ab initio variational transition state theory and master equation study of the reaction (OH)3SiOCH2 + CH3 <=> (OH)3SiOC2H5

Daniel Nurkowski, Stephen J. Klippenstein, Yuri Georgievskii, Marco Verdicchio, Ahren W. Jasper, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 147, c4e-Preprint Series, Cambridge, 2014.

137: A detailed kinetic study of the thermal decomposition of tetraethoxysilane

Daniel Nurkowski, Philipp Buerger, Jethro Akroyd, and Markus Kraft, Technical Report 137, c4e-Preprint Series, Cambridge, 2013.