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Árni Sturluson
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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
932019
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
822019
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
502020
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
302020
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
282018
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
132021
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
42023
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
42020
Variants at the Interleukin 1 gene locus and pericarditis
RB Thorolfsdottir, AB Jonsdottir, G Sveinbjornsson, HM Aegisdottir, ...
JAMA cardiology 9 (2), 165-172, 2024
22024
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
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Articles 1–15