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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 22
- Machine learning approaches to accelerate QM/MMFrom16 Aug 2023 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- QM/MM studies of reactivity and dynamics in enzymes and fluorescent proteinsFrom5 Aug 2023 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- Type III intermediate filaments: molecular structure to understand muscular diseaseFrom1 Jan 2023 → TodayFunding: FWO research project (including WEAVE projects)
- Exploring excited state dynamics of fluorescent proteins by X-ray free electron laser (XFEL).From1 Jan 2023 → TodayFunding: FWO research project (including WEAVE projects)
- Exploring excited state structural dynamics of fluorescent proteins by using X-ray free electron laser (XFEL) towards advancement of cutting‐edge microscopyFrom1 Oct 2022 → TodayFunding: BOF - projects
- Addressing the computational challenges in mixed-valence multimetallic iron complexes.From1 Oct 2021 → 30 Sep 2022Funding: BOF - postdoctoral mandates
- Prebiotic chemical discovery through quantum chemistryFrom12 May 2021 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- Re-evaluating the role of volatile organic compounds through quantum theoretical and modelling studiesFrom11 Jan 2021 → TodayFunding: FED-tWIN
- Development and Application of Computational Modelling Techniques for Enzymatic ProcessesFrom1 Oct 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
Publications
21 - 30 of 99
- On the limits of ab initio and DFT methods for bioinorganic iron models(2021)
Authors: Carlos Martín-Fernández, Jeremy Harvey, Kristine Pierloot
- En Route to a Heterogeneous Catalytic Direct Peptide Bond Formation by Zr-Based Metal-Organic Framework Catalysts(2021)
Authors: Francisco De Azambuja, Alexandra Loosen, Jeremy Harvey, Tatjana Vogt
Pages: 7647 - 7658 - On the Use of Normalized Metrics for Density Sensitivity Analysis in DFT(2021)
Authors: Jeremy Harvey
Pages: 4639 - 4652 - Vibrational Energy Relaxation of Deuterium Fluoride in d-Dichloromethane: Insights from Different Potentials(2021)
Authors: Xiaoyong Zhang, Jeremy Harvey
Pages: 1277 - 1289 - Chiral Adsorption Conformations of Long-Chain n-Alkanes Induced by Lattice Mismatch(2021)
Authors: Jeremy Harvey, Steven De Feyter
Pages: 1557 - 1563 - Histidine versus Cysteine-Bearing Heme-Dependent Halogen Peroxidases: Parallels and Differences for Cl- Oxidation(2021)
Authors: Jeremy Harvey
Pages: 74 - 85 - Mechanism of the highly effective peptide bond hydrolysis by MOF-808 catalyst under biologically relevant conditions(2020)
Authors: Kristine Pierloot, Tatjana Vogt, Jeremy Harvey
Pages: 25136 - 25145 - Ruthenium-catalyzed cascade C-H activation/annulation of N-alkoxybenzamides: reaction development and mechanistic insight(2020)
Authors: Xiaoyong Zhang, Luc Van Meervelt, Jeremy Harvey, Erik Van der Eycken
Pages: 11562 - 11569 - Energetics of non-heme iron reactivity: can ab initio calculations provide the right answer?(2020)
Authors: Jeremy Harvey
Pages: 23908 - 23919 - Computational Chemistry and Non-noble Metal-catalyzed Cross-coupling Reaction Mechanisms(2020)
Authors: Jeremy Harvey
Pages: 467 - 469
Linked dataset
1 - 3 of 3
- Replication Data for: On the origin of cooperativity effects in the formation of self-assembled molecular networks at the liquid/solid interface (Creator)
- Replication Data for: Exploring the Selectivity of Cytochrome P450 for Enhanced Novel Anticancer Agent Synthesis (Creator)
- Replication Data for: Quantifying the Cooperative Process of Molecular Self-Assembly on Surfaces: A Case Study of Isophthalic Acids (Creator)