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Researcher
Patrick Bultinck
- Keywords:quantum chemistry, spectroscopy
- Disciplines:Statistical mechanics in chemistry, Theoretical and computational chemistry not elsewhere classified, Quantum chemistry, Physical chemistry not elsewhere classified, (Bio)molecular modelling and design, Molecular physics
Affiliations
- Department of Chemistry (Department)
Responsible
From1 Oct 2018 → Today - Department of Chemistry (Department)
Member
From1 Oct 2018 → Today - Department of Archaeology (Department)
Member
From1 Jun 2017 → 30 Sep 2017 - Department of Chemistry (Department)
Member
From1 Oct 1993 → Today
Projects
1 - 8 of 8
- Making a quantum computer talk chemistry: conceptual open quantum systems as insightful tools for quantum computing approaches to quantum chemistryFrom1 Nov 2023 → TodayFunding: FWO fellowships
- Making a quantum computer talk chemistry: conceptual open quantum systems as insightful tools for quantum computing approaches to quantum chemistryFrom1 Oct 2023 → 31 Oct 2023Funding: BOF - doctoral mandates
- Going against the current: dissecting the Nucleus-Independent Chemical Shift to reveal its fundamental flawsFrom1 Oct 2023 → TodayFunding: BOF - projects
- Discovering chemical rules and concepts using explainable deep learning.From1 Jan 2020 → 31 Dec 2023Funding: FWO research project (including WEAVE projects)
- Theoretical Extensions and Chemical Characterization of Maximum Probability Domains.From1 Oct 2019 → TodayFunding: BOF - projects
- Highly accurate and universally applicable geminals based electronic structure theory.From1 Jan 2017 → 31 Dec 2020Funding: FWO research project (including WEAVE projects)
- Chemical property prediction using spectral-signature Kriging of molecular surface topologyFrom1 Dec 2015 → 30 Nov 2019Funding: BOF - Other initiatives
- Pre-allocated professorship in Quantum ChemistryFrom1 Feb 2013 → 31 Jan 2018Funding: BOF - Research professorship
Publications
41 - 50 of 61
- Aromaticity in all-metal annular systems : the counter-ion effect(2011)
Authors: Arindam Chakraborty, Santanab Giri, Soma Duley, Anakuthi Anoop, Patrick Bultinck, Pratim K Chattaraj
Pages: 14865 - 14878 - Pt Nanowires on Ge(001) : sheep in wolf's clothing?(2011)
Authors: Danny Vanpoucke, Patrick Bultinck, Isabel Van Driessche
Number of pages: 1 - Nonstandard N-representability constraints and their application to chemical and physical systems(2011)
Authors: Dimitri Van Neck, Brecht Verstichel, Helen van Aggelen, Patrick Bultinck, Paul W Ayers
Number of pages: 1 - Structure and stability of cyclic peptide based nanotubes : a computational chemistry investigation(2011)Volume: 40
Authors: Vijayaraj Ramadoss, S Sundar Raman, R Mahesh Kumar, Patrick Bultinck, V Subramanian
Pages: 56 - 56 - Influence of atoms-in-molecules methods on shared-electron distribution indices and domain averaged Fermi holes(2010)
Authors: Patrick Bultinck, David L Cooper, Robert Ponec
Pages: 8754 - 8763 - Alternative Kullback-Leibler information entropy for enantiomers(2010)
Authors: Sara Janssens, Patrick Bultinck, Alex Borgoo, Christian Van Alsenoy, Paul Geerlings
Pages: 640 - 645 - The influence of atoms-in-molecules methods on shared-electron distribution indices and domain averaged Fermi holes(2010)
Authors: Patrick Bultinck, David L Cooper, Robert Ponec
Number of pages: 1 - Robust mode analysis of VCD spectra : how reliable are VCD spectra?(2010)
Authors: Patrick Bultinck
Number of pages: 1 - Hirshfeld atoms in molecules revisited(2010)
Authors: Patrick Bultinck
Number of pages: 1 - Density matrix based methods for bonded and non-bonded interactions(2010)
Authors: Patrick Bultinck
Number of pages: 1