Researcher
Guillaume Acke
- Keywords:quantum chemistry, computational chemistry
- Disciplines:Theoretical and computational chemistry not elsewhere classified, Quantum chemistry
Affiliations
- Department of Chemistry (Department)
Member
From27 Sep 2011 → Today
Projects
1 - 5 of 5
- 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
- Theoretical Extensions and Chemical Characterization of Maximum Probability Domains.From1 Oct 2019 → TodayFunding: BOF - projects
- Extracting chemical concepts from quantum chemistry using maximum probability domains.From1 Oct 2012 → 30 Sep 2016Funding: FWO fellowships, BOF - Other initiatives
Publications
1 - 10 of 20
- Crosstalk between glucocorticoid and mineralocorticoid receptors boosts glucocorticoid-induced killing of multiple myeloma cells(2023)
Authors: Stefan Prekovic, Eleni Staessens, Guillaume Acke, Wilbert Zwart, Ilse M. Beck
- Polyaddition synthesis using alkyne esters for the design of vinylogous urethane vitrimers(2021)
Authors: Yann Spiesschaert, Jens Danneels, Niels Van Herck, Marc Guerre, Guillaume Acke, Johan Winne, Filip Du Prez
Pages: 7931 - 7942 - Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism(2021)
Authors: Tom Vermeyen, Jure Brence, Robin Van Echelpoel, Roy Aerts, Guillaume Acke, Wouter Herrebout
Pages: 19781 - 19789 - Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators(2020)
Authors: Guillaume Acke, Stijn De Baerdemacker, Angel Martin Pendas
- Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density(2019)
Authors: Guillaume Acke, Sofie Van Damme, Remco WA Havenith
Pages: 3145 - 3153 - Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions(2018)
Authors: Guillaume Acke, Sofie Van Damme, Remco Havenith
Pages: 511 - 519 - The influence of correlation on (de)localization indices from a valence bond perspective(2018)
Authors: Guillaume Acke
- Maximum probability domains for Hubbard models(2016)
Authors: Guillaume Acke, Stijn De Baerdemacker, Pieter Claeys, Mario Van Raemdonck, Ward Poelmans, Dimitri Van Neck
Pages: 1392 - 1405 - Can the current density map topology be extracted from the nucleus independent chemical shifts?(2016)
Authors: Sofie Van Damme, Guillaume Acke, Remco Havenith
Pages: 11746 - 11755 - Constrained CI calculations to investigate charge transfer and the effects of the integer nature of the electron(2016)
Authors: Mario Van Raemdonck, Stijn De Baerdemacker, Guillaume Acke, Frank De Proft, Dimitri Van Neck, Patrick Bultinck
Number of pages: 1