CTC - PhD Event 2026
A full day of computational and theoretical chemistry.
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Walk-in + Coffee
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Opening
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Invited talk - Matthias Bickelhaupt
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The history of the CTC section
Matthias Bickelhaupt (VU Amsterdam)
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Flash talk 1 - Siebe Lekanne Deprez
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Challenging the SEI Paradigm in Hydrogen-Bonded Amide and Imide Dimers
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Flash talk 2 - Alfonso Annarelli
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Learning Photochemical Dynamics with Quantum Monte Carlo: Lessons from Azomethane
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Flash talk 3 - Mark Heezen
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GPU acceleration in quantum chemistry software made simple through a modular C++ linear algebra library
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Flash talk 4 - Saha Satvati
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Antibacterial Peptides on Lipid Membranes: An Integrated Experimental and Computational Pipeline for Conformational Analysis and Mechanistic Determinant Identification
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Lunch
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Flash talk 5 - Yuman Hordijk
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PyOrbb — Automated Analysis Tool for Orbital Interactions
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Flash talk 6 - Daniel Isler
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From Surface Restructuring to Dissolution: The Role of Impurities in Molten Salt Corrosion
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Flash talk 7 - Lea de Jong
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Factors influencing Nucleophilic Substitution Reactions: Steric and Solvent Effects
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Flash talk 8 - Elpiniki Paspali
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AI-Driven Generative Peptide Design Targeting the GC-C For Parkinson’s Disease
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Flash talk 9 - Mengrong Li
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Balancing Lattice Oxygen Activation and Surface Reoxidation in Lanthanide-Zn Co-doped Pd/CeO2 Single-Atom Catalysts for CO Oxidation
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Flash talk 10 - Floris van den Bosch
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Vibrational Excitation in Plasma Catalysis: How Important are Dynamical Effects?
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Coffee break
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Flash talk 11 - Martijn Hut
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Probing the wetting states of supported nanoparticles
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Flash talk 12 - Haldun Bucak
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MatCollect, an automated materials curation and stability screening tool across multiple databases
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Flash talk 13 - Robin van der Kruit
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CO2 adsorption on Alkali(ne Earth) Promoted Cu
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Invited talk - Douwe van der Wal
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Best practices for agentic coding using sovereign models
Douwe van der Wal (SURF)
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Networking Event + Drinks
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