The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation A Sturluson, MT Huynh, AR Kaija, C Laird, S Yoon, F Hou, Z Feng, ... Molecular simulation 45 (14-15), 1082-1121, 2019 | 93 | 2019 |
Understanding gas storage in cuboctahedral porous coordination cages GR Lorzing, AJ Gosselin, BA Trump, AHP York, A Sturluson, CA Rowland, ... Journal of the American Chemical Society 141 (30), 12128-12138, 2019 | 82 | 2019 |
Message passing neural networks for partial charge assignment to metal–organic frameworks A Raza, A Sturluson, CM Simon, X Fern The Journal of Physical Chemistry C 124 (35), 19070-19082, 2020 | 50 | 2020 |
Curating metal–organic frameworks to compose robust gas sensor arrays in dilute conditions A Sturluson, R Sousa, Y Zhang, MT Huynh, C Laird, AHP York, C Silsby, ... ACS applied materials & interfaces 12 (5), 6546-6564, 2020 | 30 | 2020 |
Eigencages: learning a latent space of porous cage molecules A Sturluson, MT Huynh, AHP York, CM Simon ACS central science 4 (12), 1663-1676, 2018 | 28 | 2018 |
Recommendation system to predict missing adsorption properties of nanoporous materials A Sturluson, A Raza, GD McConachie, DW Siderius, XZ Fern, CM Simon Chemistry of Materials 33 (18), 7203-7216, 2021 | 13 | 2021 |
Actionable genotypes and their association with life span in Iceland BO Jensson, GA Arnadottir, H Katrinardottir, R Fridriksdottir, H Helgason, ... New England Journal of Medicine 389 (19), 1741-1752, 2023 | 4 | 2023 |
Towards explainable message passing networks for predicting carbon dioxide adsorption in metal-organic frameworks A Raza, F Waqar, A Sturluson, C Simon, X Fern arXiv preprint arXiv:2012.03723, 2020 | 4 | 2020 |
Variants at the Interleukin 1 gene locus and pericarditis RB Thorolfsdottir, AB Jonsdottir, G Sveinbjornsson, HM Aegisdottir, ... JAMA cardiology 9 (2), 165-172, 2024 | 2 | 2024 |
Novel Approaches to Porous Material Discovery A Sturluson | | 2020 |
A Recommender System to Match Metal-Organic Frameworks with Gases A Sturluson, G McConachie, M Huynh, S Hough, X Fern, D Siderius, ... 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
Message Passing Neural A Sturluson, C Simon, X Fern | | 2020 |
Eigencages: Learning a Latent Space of Porous Cage Molecules M Huynh, A Sturluson, A York, C Simon 2019 AIChE Annual Meeting, 2019 | | 2019 |
Curating Metal-Organic Frameworks to Compose Robust Gas Sensor Arrays A Sturluson, R Sousa, Y Zhang, M Huynh, C Laird, A York, C Silsby, ... 2019 AIChE Annual Meeting, 2019 | | 2019 |
Supporting Information: Message passing neural networks for partial charge assignment to metal-organic frameworks A Raza, A Sturluson, C Simon, X Fern | | |