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Researcher
Jeremy Harvey
- Disciplines:Physical chemistry, Theoretical and computational chemistry, Other chemical sciences, Biochemistry and metabolism, Medical biochemistry and metabolism, Atmospheric sciences
Affiliations
- Department of Chemistry (Department)
Responsible
From1 Aug 2020 → Today - Quantum Chemistry and Physical Chemistry (Division)
Member
From1 Oct 2014 → Today
Projects
1 - 10 of 18
- Addressing the computational challenges in mixed-valence multimetallic iron complexes.From1 Oct 2021 → TodayFunding: BOF - postdoctoral mandates
- Prebiotic chemical discovery through quantum chemistryFrom12 May 2021 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- Quantum mechanical/molecular mechanical modelling of small ligand binding in proteinsFrom1 Oct 2020 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- Ionization and electron-attachment processes in solution and other condensed-phase environmentsFrom29 May 2020 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- Resolution-of-the-identity approximations for complex-energy methodsFrom28 May 2020 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- Deciphering biochemical molecular signalling by gases via MD simulations and QM/MM calculationsFrom1 Oct 2019 → 30 Sep 2021Funding: BOF - projects
- ESCHER - Extra-terreStrial prebiotic CHEmistRyFrom1 Oct 2019 → TodayFunding: BOF - Concerted Research Project from 1994
- Computational Modelling of Catalytic Reactions in Organometallic ChemistryFrom20 Sep 2019 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- Automation techniques for exploring potential energy surfaces of chemical reaction with quantum chemistryFrom30 Aug 2019 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- Multi-scale Simulations of Dynamics of Chemical ReactionsFrom16 Oct 2017 → 31 Aug 2021Funding: Own budget, for example: patrimony, inscription fees, gifts
Publications
1 - 10 of 82
- Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery(2022)
Authors: Jeremy Harvey
Pages: 533 - 543Number of pages: 11 - Pd-Catalyzed Ring Restructuring of Oxazolidines with Alkenes Leading to Fused Polycyclic Indolizines(2022)
Authors: Luc Van Meervelt, Jeremy Harvey, Erik Van der Eycken
Pages: 1232 - 1236Number of pages: 5 - Effect of solvent motions on the dynamics of the Diels-Alder reaction(2021)
Authors: Jeremy Harvey
Pages: 1120 - 1130Number of pages: 11 - Accurate Computational Studies of Catalytic Reaction Mechanisms and Kinetics(2021)
Authors: Tolga Yaman, Jeremy Harvey
- On the limits of ab initio and DFT methods for bioinorganic iron models(2021)
Authors: Carlos Martín-Fernández, Jeremy Harvey, Kristine Pierloot
- On the Importance of Considering Multinuclear Metal Sites in Homogeneous Catalysis Modeling(2021)
Authors: Jeremy Harvey
Pages: 96 - 104Number of pages: 9 - Multi-scale Simulations of Dynamics of Chemical Reactions(2021)
Authors: Xiaoyong Zhang, Jeremy Harvey
- En Route to a Heterogeneous Catalytic Direct Peptide Bond Formation by Zr-Based Metal-Organic Framework Catalysts(2021)
Authors: Francisco De Azambuja, Alexandra Loosen, Dragan Conić, Jeremy Harvey, Tatjana Vogt
Pages: 7647 - 7658Number of pages: 12 - On the Use of Normalized Metrics for Density Sensitivity Analysis in DFT(2021)
Authors: Carlos Martín-Fernández, Jeremy Harvey
Pages: 4639 - 4652Number of pages: 14 - Vibrational Energy Relaxation of Deuterium Fluoride in d-Dichloromethane: Insights from Different Potentials(2021)
Authors: Xiaoyong Zhang, Jeremy Harvey
Pages: 1277 - 1289Number of pages: 13