Michiel Jan van Setten
Affiliations: | imec |
Area:
ab initio, solid state, mbptGoogle:
"Michiel van Setten"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Rob A. de Groot | grad student | 2004-2008 | Radboud University Nijmegen |
| Gilles de Wijs | grad student | 2004-2008 | Radboud University Nijmegen |
| Maximilan Fichtner | post-doc | 2008-2010 | KIT Karlsruhe |
| Ferdinand Evers | post-doc | 2010-2013 | KIT Karlsruhe (Physics Tree) |
| Xavier Gonze | post-doc | 2013-2018 | Université catholique de Louvain, Belgium |
| Gian-Marco Rignanese | post-doc | 2013-2018 | Université catholique de Louvain, Belgium |
| Geoffrey Pourtois | research scientist | 2018- | imec |
Collaborators
Sign in to add collaborator| Steven G. Louie | collaborator | 2010-2014 | UC Berkeley (Physics Tree) |
| Matthias Scheffler | collaborator | 2010-2018 | (Physics Tree) |
| Matthieu Jean Verstreate | collaborator | 2013-2018 | Université de Liège |
| Martijn A. Zwijnenburg | collaborator | 2015-2018 | UCL (London) |
| Patrick Rinke | collaborator | 2012-2019 | Aalto University |
BETA: Related publications
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Publications
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| Marques EA, De Gendt S, Pourtois G, et al. (2023) Benchmarking First-Principles Reaction Equilibrium Composition Prediction. Molecules (Basel, Switzerland). 28 |
| Marques E, de Gendt S, Pourtois G, et al. (2023) Improving Accuracy and Transferability of Machine Learning Chemical Activation Energies by Adding Electronic Structure Information. Journal of Chemical Information and Modeling. 63: 1454-1461 |
| Galleni L, Sajjadian FS, Conard T, et al. (2022) Modeling X-ray Photoelectron Spectroscopy of Macromolecules Using . The Journal of Physical Chemistry Letters. 13: 8666-8672 |
| Bruneval F, Dattani N, van Setten MJ. (2021) The GW Miracle in Many-Body Perturbation Theory for the Ionization Potential of Molecules. Frontiers in Chemistry. 9: 749779 |
| Romero AH, Allan DC, Amadon B, et al. (2020) ABINIT: Overview and focus on selected capabilities. The Journal of Chemical Physics. 152: 124102 |
| Golze D, Wilhelm J, van Setten MJ, et al. (2018) Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis. Journal of Chemical Theory and Computation. 14: 4856-4869 |
| Petretto G, Dwaraknath S, P C Miranda H, et al. (2018) High-throughput density-functional perturbation theory phonons for inorganic materials. Scientific Data. 5: 180065 |
| van Setten MJ, Costa R, Viñes F, et al. (2018) Assessing GW approaches for predicting core level binding energies. Journal of Chemical Theory and Computation |
| Berardo E, Kaplan F, Bhaskaran-Nair K, et al. (2017) Benchmarking the Fundamental Electronic Properties of small TiO2 Nanoclusters by GW and Coupled Cluster Theory Calculations. Journal of Chemical Theory and Computation |
| Maggio E, Liu P, van Setten MJ, et al. (2017) GW 100: a plane wave perspective for small molecules. Journal of Chemical Theory and Computation |