Groupmeeting

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Group meeting schedule Theoretical and Computational Chemistry

Name from date time location title
Bas van Beek VU Tuesday, June-14-2022 11:00 Zoom CAT: A Compound Attachment Tool for the construction of composite organic-inorganic chemical species
Dipanshu Kumar TCC Tuesday, June-07-2022 11:00 HG03.085 and Zoom Hybrid QM:QM methods for adsorption of ethanol in H-MFI
Prof. Gerrit Groenenboom TCC Tuesday, May-31-2022 11:00 HG03.085 and Zoom Computing intensities in Renner-Teller spectra
Pascal Vermeeren VU Tuesday, May-24-2022 11:00 Zoom Iminium Catalysis and the Story of Asynchronicity
Tijs Karman TCC Tuesday, May-10-2022 11:00 HG03.085 and zoom Improv
Bauke Smits Leiden Tuesday, April-26-2022 11:00 Zoom Accurate Description of the Quantum Dynamical Surface Temperature Effects on the Dissociative Chemisorption of H2 from Cu(111)
Malek Ben Khalifa KU Leuven Tuesday, April-05-2022 11:00 Zoom Inelastic scattering of interstellar Methyl isocyanide (CH3NC) by Helium : Cross-sections and rate coefficients for A− and E−CH3NC-He
Gijs Schaftenaar TCC Tuesday, March-29-2022 11:00 Zoom tba
Erwan Privat TCC Tuesday, March-22-2022 11:00 Zoom tba
Marijn Man TCC Tuesday, March-8-2022 11:00 Zoom tba
Prof. Herma Cuppen TCC Tuesday, February-22-2022 11:00 Zoom tba
Alberto Pérez de Alba Ortíz Utrecht Tuesday, February-15-2022 11:00 Zoom Traversing the free-energy pathways of intricate biomolecular processes
Etienne Walraven TCC Tuesday, February-8-2022 11:00 Zoom Nuclear tunneling events in low-temperature glasses
Ad van der Avoird TCC Tuesday, February-1-2022 11:00 Zoom The ammonia dimer story
Bernadette Mohr UvA Tuesday, December-14-2021 11:00 Zoom Rational discovery of cardiolipin-selective small molecules by coarse-grained high-throughput simulations
Saba Ghasemlou TCC Tuesday, November-23-2021 11:00 Zoom tba
Maximilian Menger Groningen Tuesday, November-16-2021 11:00 Zoom Non-adiabatic Molecular Dynamics: A data-driven approach
Prof. Herma Cuppen TCC Tuesday, November-02-2021 11:00 Zoom Energy dissipation and restructuring in interstellar ice
Jesús Pérez Ríos Fritz Haber Tuesday, October-26-2021 11:00 Zoom Few-body processes in atom-ion hybrid systems
Dipanshu Kumar TCC Tuesday, October-19-2021 11:00 Zoom Energy transfer in formaldehyde-graphene collision
Alice Cuzzocrea Twente Tuesday, October-05-2021 11:00 Zoom Modeling photo-excitations with quantum Monte Carlo
Prof. Gerrit Groenenboom TCC Tuesday, September-28-2021 11:00 Zoom Anharmonic vibrations
Caroline Stadler TCC Tuesday, July-27-2021 11:00 Zoom The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
Flavio Siro Brigiano VU Brussel Tuesday, July-22-2021 11:00 Zoom Reactivity at aqueous interfaces by enhanced sampling MD simulations
MSc Saba Ghasemlou TCC Tuesday, July-13-2021 11:00 Zoom Simulation of the phase transition in DL-methionine
Erwan Privat TCC Tuesday, July-06-2021 11:00 Zoom Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
Fabian Berger HU Berlin Tuesday, June-29-2021 11:00 Zoom MD Simulations with Chemical Accuracy - Adsorption in Zeolites
Daria Galimberti TCC Tuesday, June-22-2021 11:00 Zoom Vibrational specrtra from MD simulations: strengths and weaknesses
Lieke Geessinck TCC Tuesday, June-15-2021 11:00 Zoom Potential energy surfaces of the tagged Renner Teller ion C2H+
Mattew D. Frye Durham University Tuesday, June-08-2021 11:00 Zoom tba
Prof. Herma Cuppen TCC Tuesday, June-01-2021 11:00 Zoom tba
MSc Kim Steenbakkers FELIX+TCC Tuesday, May-25-2021 11:00 Zoom Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex

Preliminary schedule, subject to change

  • 14 Jun Bas van Beek (VU)
  • 21 Jun Daria -- HG03.085
  • 28 Jun Lele -- HG02.053
  • 5 Jul Jop -- HG03.085

History, 2011-2016

Meetings 2011-2016