AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance SP Huber, S Zoupanos, M Uhrin, L Talirz, L Kahle, R Häuselmann, ...
Scientific data 7 (1), 300, 2020
287 2020 State of the art in composition, fabrication, characterization, and modeling methods of cement-based thermoelectric materials for low-temperature applications X Liu, R Jani, E Orisakwe, C Johnston, P Chudzinski, M Qu, B Norton, ...
Renewable and Sustainable Energy Reviews 137, 110361, 2021
49 2021 Common workflows for computing material properties using different quantum engines SP Huber, E Bosoni, M Bercx, J Bröder, A Degomme, V Dikan, K Eimre, ...
npj Computational Materials 7 (1), 136, 2021
28 2021 Ab initio study of the structure, isotope effects, and vibrational properties in KDP crystalsR Menchón, G Colizzi, C Johnston, F Torresi, J Lasave, S Koval, ...
Physical Review B 98 (10), 104108, 2018
28 2018 Production of H2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study S Le Caër, L Dezerald, K Boukari, M Lainé, S Taupin, RM Kavanagh, ...
Cement and Concrete Research 100, 110-118, 2017
22 2017 On the role of magnesium in a LiF: Mg, Ti thermoluminescent dosimeter G Massillon-Jl, CSN Johnston, J Kohanoff
Journal of Physics: Condensed Matter 31 (2), 025502, 2018
17 2018 CHEMREASONER: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback HW Sprueill, C Edwards, K Agarwal, MV Olarte, U Sanyal, C Johnston, ...
arXiv preprint arXiv:2402.10980, 2024
9 2024 AiiDA-defects: An automated and fully reproducible workflow for the complete characterization of defect chemistry in functional materials S Muy, C Johnston, N Marzari
Electronic Structure 5 (2), 024009, 2023
8 2023 Experimental performance evaluation of a convective thermoelectric building envelope for building heating and cooling X Liu, K Yazawa, M Qu, O Kurtulus, B Norton, N Holmes, R Jani, ...
Energy and Buildings 273, 112376, 2022
5 2022 Electronic structure calculations of defect states in Ti-doped LiF G Massillon-Jl, CSN Johnston, L Stella, J Kohanoff
Radiation Measurements 174, 107114, 2024
2 2024 Electronic structure simulations in the cloud computing environment EJ Bylaska, A Panyala, NP Bauman, B Peng, H Pathak, ...
The Journal of Chemical Physics 161 (15), 2024
1 2024 Thermoelectric properties of cement composite analogues from first principles calculations E Orisakwe, C Johnston, R Jani, X Liu, L Stella, J Kohanoff, N Holmes, ...
Materials Research Express 10 (9), 095505, 2023
1 2023 Radioactive decay of J Kohanoff, AA Correa, G Gribakin, C Johnston, A Saúl
The European Physical Journal D 75 (9), 1-9, 2021
1 2021 Characterization and performance of cement-based thermoelectric materials R Jani, N Holmes, RP West, K Gaughan, X Liu, E Orisakwee, C Johnston, ...
Civil Engineering Research in Ireland (CERI) 2020, 2020
1 2020 Performance Modeling and Analysis of a Thermoelectric Building Envelope for Space Heating X Liu, M Qu, K Yazawa, J Kohanoff, P Chudzinski, L Stella, B Norton, ...
2022 Modelling the thermoelectric properties of cement-based materials using finite element method and effective medium theory L Stella, C Johnston, J Troncoso, P Chudzinski, E Orisakwee, J Kohanoff, ...
Technological University Dublin, 2022
2022 
Jorge KohanoffInstituto de Fusion Nuclear, Universidad Politecnica de Madrid, Madrid, SpainBestätigte E-Mail-Adresse bei upm.es