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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
- Exploring excited state dynamics of fluorescent proteins by X-ray free electron laser (XFEL).From1 Jan 2023 → TodayFunding: FWO research project (including WEAVE projects)
- Type III intermediate filaments: molecular structure to understand muscular diseaseFrom1 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
51 - 60 of 98
- Limits of Coupled-Cluster Calculations for Non-Heme Iron Complexes(2019)
Authors: Milica Feldt, Kristine Pierloot, Jeremy Harvey
Pages: 922 - 937 - Predictive Kinetics in Homogeneous Catalysis(2018)
Authors: Ewa Szlapa, Jeremy Harvey
- Computational Modelling of Selectivity in Cobalt-Catalyzed Propene Hydroformylation(2018)
Authors: Ewa Szlapa, Jeremy Harvey
Pages: 17096 - 17104 - How Does Chemisorption Impact Physisorption? Molecular View of Defect Incorporation and Perturbation of Two-Dimensional Self-Assembly(2018)
Authors: Brandon Hirsch, Peter Walke, Jeremy Harvey, Steven De Feyter
Pages: 24046 - 24054 - Mixed Explicit-Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules(2018)
Authors: Jeremy Harvey
Pages: 12527 - 12537 - Modelling absorption and emission of a meso-aniline-BODIPY based dye with molecular mechanics(2018)
Authors: Flip de Jong, Milica Feldt, Jeremy Harvey
Pages: 14537 - 14544 - Toward Highly Accurate Spin State Energetics in First-Row Transition Metal Complexes: A Combined CASPT2/CC Approach(2018)
Authors: Milica Feldt, Jeremy Harvey, Kristine Pierloot
Pages: 2446 - 2455 - Rates of Molecular Vibrational Energy Transfer in Organic Solutions(2018)
Authors: Jeremy Harvey
Pages: 3535 - 3540 - First Principles Calculation of the Reaction Rates for Ligand Binding to Myoglobin: The Cases of NO and CO(2018)
Authors: Jeremy Harvey
Pages: 5350 - 5358 - Conceptual Insights into DFT Spin-State Energetics of Octahedral Transition-Metal Complexes through a Density Difference Analysis(2018)
Authors: Jeremy Harvey
Pages: 5281 - 5292
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)