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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
11 - 20 of 99
- Iron-Catalyzed Kumada Cross-Coupling Reaction Involving Fe8Me12- and Related Clusters: A Computational Study(2022)
Authors: Jeremy Harvey
Pages: 12678 - 12688 - An automated method for graph-based chemical space exploration and transition state finding(2022)
Authors: Pablo Ramos, Jeremy Harvey
Pages: 27 - 42 - The Mechanism of Biochemical NO-Sensing: Insights from Computational Chemistry(2022)
Authors: Neil Rory McFarlane, Jeremy Harvey
- Synthesis of Heterocycles via Aerobic Ni-Catalyzed Imidoylation of Aromatic 1,2-Bis-nucleophiles with Isocyanides(2022)
Authors: Jeremy Harvey
Pages: 6857 - 6873 - 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 - 1236 - On the Importance of Considering Multinuclear Metal Sites in Homogeneous Catalysis Modeling(2022)
Authors: Jeremy Harvey
Pages: 96 - 104 - Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery(2022)
Authors: Jeremy Harvey
- Effect of solvent motions on the dynamics of the Diels-Alder reaction(2022)
Authors: Jeremy Harvey
Pages: 1120 - 1130 - Computational Analysis of a Prebiotic Amino Acid Synthesis with Reference to Extant Codon-Amino Acid Relationships(2021)
Authors: Jeremy Harvey
- Accurate Computational Studies of Catalytic Reaction Mechanisms and Kinetics(2021)
Authors: Tolga Yaman, Jeremy Harvey
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)