Difference between revisions of "Groupmeeting"
From Theochem
Jump to navigationJump to searchLine 8: | Line 8: | ||
* HG01.029, 27 feb, External speaker | * HG01.029, 27 feb, External speaker | ||
* HG01.029, 5 mar, Roel van de Ven | * HG01.029, 5 mar, Roel van de Ven | ||
− | + | ||
* HG01.029, 19 mar, Yuly Chamorro Mena (Groningen) | * HG01.029, 19 mar, Yuly Chamorro Mena (Groningen) | ||
− | * HG01.029, 26 mar, | + | |
+ | * HG01.029, 26 mar, Herma Cuppen | ||
* HG00.023, 2 apr, Etienne Walraven | * HG00.023, 2 apr, Etienne Walraven | ||
Revision as of 13:47, 18 March 2024
Preliminary schedule, subject to change
11am -- 12noon on Tuesday
- HG00.308, 6 feb, Sasha Kiuberis
- HG00.308, 13 feb, Hashem Jabor
- HG01.029, 20 feb, Etienne Walraven
- HG01.029, 27 feb, External speaker
- HG01.029, 5 mar, Roel van de Ven
- HG01.029, 19 mar, Yuly Chamorro Mena (Groningen)
- HG01.029, 26 mar, Herma Cuppen
- HG00.023, 2 apr, Etienne Walraven
Q4 starts; 11am -- 12noon on Thursday
- HG00.616, 11 apr, Jasper v/d Kraats (TU/e)
- HG00.304, 18 apr, Tijs
- HG00.065, 25 apr, Marlene Bosquez
- 9 may, Ascension day
- HG00.616, 16 may, Tom Speelman
- HG00.616, 23 may, Jesse Voorhorst (Goudappel, Deventer)
- HG00.065, 30 may, No meeting, PPIMM PhD Day
- HG00.065, 6 jun, Joseph Salaris
- HG01.029, 13 jun, Ad
- HG01.029, 20 jun, Dipanshu Kumar
- HG01.029, 27 jun, Gilles
Group meeting schedule Theoretical and Computational Chemistry
Name | from | date | time | location | title |
---|---|---|---|---|---|
Roel van de Ven | TCC | Tuesday, March-05-2024 | 11:00 | HG01.029 | Building blocks for accelerating conformational search using vibrational spectra and machine learning |
Etienne Walraven | TCC | Tuesday, February-20-2024 | 11:00 | HG01.029 | Rotational Repulsion: Rotational state dependence of interactions between polar molecules |
Hashem Jabor | TCC | Tuesday, February-13-2024 | 11:00 | HG00.308 | |
Sasha Kiuberis | TCC | Tuesday, February-06-2024 | 11:00 | HG00.308 | |
Joseph Salaris | TCC | Tuesday, December-12-2023 | 11:00 | Mercator 3, 03.057 | ERS Ice Age modeling project |
Zeno van den Heuvel | TCC | Tuesday, December-05-2023 | 11:00 | Mercator 3, 03.057 | |
Kevin Pérez | TCC | Tuesday, November-21-2023 | 11:00 | Mercator 3, 03.057 | |
Nikhila Chandran | TCC | Tuesday, November-14-2023 | 11:00 | Mercator 3, 03.057 | |
Tobias Dijkhuis | TCC | Tuesday, November-07-2023 | 11:00 | Mercator 3, 03.057 | |
Dian Schrauwen | TCC | Tuesday, October-31-2023 | 11:00 | Mercator 3, 03.057 | |
Dipanshu Kumar | TCC | Tuesday, October-24-2023 | 11:00 | Mercator 3, 03.057 | Revealing the unique role of water in the formation of benzothiazoles |
Marijn Man | TCC | Tuesday, October-03-2023 | 11:00 | Mercator 3, 03.057 | |
Tom Speelman | TCC | Tuesday, July-04-2023 | 11:00 | HG00.506 | Double-edged approach to Ab Initio Solid-state NMR Shieldings |
Dian Schrauwen | TCC | Tuesday, June-20-2023 | 11:00 | HG00.506 | On-resonance infrared irradiation of interstellar ice analogues |
Gerrit C. Groenenboom | TCC | Tuesday, June-13-2023 | 11:00 | HG00.506 | Diabatic states for CCH+ |
Kevin Perez Alvarez | Groningen | MONDAY, June-12-2023 | 13:30 | HG02.032 | Radiative Association of Diatomic Molecules: in the Interstellar Medium |
Roel van de Ven | TCC | Tuesday, June-06-2023 | 11:00 | HG00.506 | Building blocks for accelerating conformational search using vibrational spectra |
Joseph Salaris | TCC | Tuesday, May-30-2023 | 11:00 | HG00.310 | Kinetic Monte Carlo (KMC) simulation of interstellar ice layers |
Brian Ferrari | Leiden | Tuesday, May-23-2023 | 11:00 | HG00.303 | Floating in Space: How to Treat the Weak Interaction between CO Molecules in Interstellar Ices |
Bernd Ensing | UvA | Wednesday, May-17-2023 | 10:15 | HG00.514 | Chemical data science entering the fifth paradigm of scientific discoveryspectroscopy in thermotropic Liquid Crystals |
Balakrishnan Naduvalath | University of Nevada | Monday, May-15-2023 | 11:00 | HG00.303 | Chemistry in the Extreme Quantum Regime |
Laura Cattaneo | Max-Planck-Institut,Heidelberg | Thursday, May-11-2023 | 16:30 | HG00.310 | THz spectroscopy in thermotropic Liquid Crystals |
Daniel Stuefer | TCC | Tuesday, May-9-2023 | 11:00 | HG00.506 | |
Etienne Walraven | TCC | Tuesday, April-11-2023 | 11:00 | HG00.506 | How to become the chosen one: Deterministic tweezer loading of ultracold molecules |
Dipanshu Kumar | TCC | Tuesday, March-21-2023 | 11:00 | HG02.028 | Hybrid QM:QM methods for adsorption of ethanol in H-MFI |
Jacqueline Zeitler | TCC | Tuesday, March-14-2023 | 11:00 | HG02.028 | tba |
Kim Steenbakkers | TCC | Tuesday, March-7-2023 | 11:00 | HG02.028 | The rare-gas effect on Renner-Teller molecules |
Tijs Karman | TCC | Tuesday, February-28-2023 | 11:00 | HG02.028 | Thermalization |
Ad van der Avoird | TCC | Tuesday, February-14-2023 | 11:00 | HG02.028 | Rovibrational transition rates in molecular collisions for astrophysical modeling |
Gilles de Wijs | TCC | Tuesday, February-07-2023 | 11:00 | HG02.028 | Progress report on GIPAW NMR shielding with spin-orbit |
Aleksandra Kiuberis | Groningen | Thursday, December-08-2022 | 11:00 | Zoom | Theoretical study of exotic molecules |
Dipanshu Kumar | TCC | Thursday, November-24-2022 | 11:00 | HG00.506 | Understanding the mechanism of water catalyzed reactions of 2-Methylbenzothiazole using metadynamics |
Amjad Sharafeddien | TCC | Thursday, November-17-2022 | 11:00 | HG00.506 | Field control of molecular collisions |
Ahmad Adam | Wuppertal | Thursday, November-10-2022 | 11:00 | zoom | The Internal Motion of a Free Radical: A Variational Approach |
Nicolo' Villa | Polimi Milano | Thursday, November-03-2022 | 11:00 | HG00.506 | Modelling the adsorption of organic friction modifiers on steel surfaces |
Roel van de Ven | TCC | Thursday, October-27-2022 | 11:00 | HG00.506 | Accelerating the conformational search by combining neural networks and vibrational spectroscopy |
Kim Steenbakkers | FELIX+TCC | Thursday, October-20-2022 | 11:00 | HG00.506 | Probing covalent binding of noble gases: Proof of principle study with ArOH+ |
Carlos Rocha | Leiden | Thursday, October-06-2022 | 11:00 | HG00.506 and Zoom | Potential energy surfaces of astrochemically relevant molecules: a short story in several acts |
Tom Speelman | TCC | Thursday, September-29-2022 | 11:00 | HG00.506 | Molecular Dynamics of CO2, H2O and H2 in Mg-MOF74 |
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 |