Difference between revisions of "Groupmeeting"
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== Preliminary schedule, subject to change == | == Preliminary schedule, subject to change == | ||
− | |||
* 26 Sept Saba Ghasemlou | * 26 Sept Saba Ghasemlou | ||
* 4 Oct Erwan Privat | * 4 Oct Erwan Privat | ||
Line 7: | Line 6: | ||
* 18 Oct Kim Steenbakkers | * 18 Oct Kim Steenbakkers | ||
* 25 Oct Roel van de Ven | * 25 Oct Roel van de Ven | ||
− | * 1 Nov | + | * 1 Nov Nicolo' Villa (Polimi Milano) |
* 8 Nov Ad | * 8 Nov Ad | ||
* 15 Nov Amjad Sharafedeen | * 15 Nov Amjad Sharafedeen | ||
Line 18: | Line 17: | ||
{| class="wikitable" | {| class="wikitable" | ||
! Name !! from !! date !! time !! location || title | ! Name !! from !! date !! time !! location || title | ||
+ | |- | ||
+ | | Marijn Man|| TCC || Thursday, September-1-2022 || 11:00 || HG03.085 and Zoom || Practice for CHAINS -- short talk | ||
|- | |- | ||
| Jop Wolffs || TCC || Tuesday, July-12-2022 || 15:00 || HG03.054 and Zoom || A DFT study of the magneto-elastic and magnetocaloric properties of new candidate materials for room temperature refrigeration | | Jop Wolffs || TCC || Tuesday, July-12-2022 || 15:00 || HG03.054 and Zoom || A DFT study of the magneto-elastic and magnetocaloric properties of new candidate materials for room temperature refrigeration |
Revision as of 09:32, 12 September 2022
Preliminary schedule, subject to change
- 26 Sept Saba Ghasemlou
- 4 Oct Erwan Privat
- 11 Oct Carlos Rocha (Leiden)
- 18 Oct Kim Steenbakkers
- 25 Oct Roel van de Ven
- 1 Nov Nicolo' Villa (Polimi Milano)
- 8 Nov Ad
- 15 Nov Amjad Sharafedeen
- 22 Nov External speaker
- 6 Dec Dipanshu Kumar
- 13 Dec Herma
Group meeting schedule Theoretical and Computational Chemistry
Name | from | date | time | location | title |
---|---|---|---|---|---|
Marijn Man | TCC | Thursday, September-1-2022 | 11:00 | HG03.085 and Zoom | Practice for CHAINS -- short talk |
Jop Wolffs | TCC | Tuesday, July-12-2022 | 15:00 | HG03.054 and Zoom | A DFT study of the magneto-elastic and magnetocaloric properties of new candidate materials for room temperature refrigeration |
Gilles A. de Wijs | TCC | Tuesday, July-05-2022 | 11:00 | HG02.053 and Zoom | Developments concerning NMR parameters: testing and application |
Lele Fang | TCC | Tuesday, June-28-2022 | 11:00 | HG02.053 and Zoom | Investigation of anion mobility in YOH with computational first-principles methods |
Daria Galimberti | TCC | Tuesday, June-21-2022 | 11:00 | HG03.085 and Zoom | Vibrational Circular Dichroism from DFT-MD simulations |
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 |