Research
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Non-covalent interactions
Non-covalent interactions
Non-Covalent Interactions in Supramolecular Polymers
Non-Covalent Interactions in Host–Guest Chemistry
Transition Metal Catalysis
Transition Metal Catalysis
Exploring metal-catalyzed transformations, including C–H bond activation and C–C bond formation.
Transition Metal Catalysis for Biomass Transformation
Main Group Catalysis
Main Group Catalysis
Computational Studies on Main Group Catalysts
Calcium Catalysts in Sustainable Chemistry
Reactions Modelling
Reactions Modelling
Utilizing quantum chemical methods to study reaction mechanisms and predict outcomes.
Computational Modeling of Non-Covalent Systems
molecular dynamics
molecular dynamics
Protein Folding Dynamics
Drug-Protein Binding Mechanisms
Machine Learning
Machine Learning
Predictive Modeling of Chemical Reactions
Machine Learning in Catalyst Design and Materials Property Prediction
Long term objectives
Long term objectives
Metal Catalyzed Transformations Including C-H bond Activation and C-C Bond Formation.
Development of Catalytic Systems for Small Molecule Activations.
Quantum Chemical Studies of Reaction Mechanism and Predictions.
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