Difference between revisions of "Groupmeeting"

From Theochem
Jump to navigationJump to search
(/* header)
(191 intermediate revisions by 14 users not shown)
Line 1: Line 1:
−
== Group meeting schedule theoretical and computational chemistry ==
+
== Preliminary schedule, subject to change ==
  
−
* May 25       MSc Kim Steenbakkers
+
11am -- 12noon on Thursdays
−
* June  1       Herma
+
 
−
* June  8       Matthew D. Frye (Durham University)
+
* 9 may,       Ascension day
−
* June 15       Lieke Geessinck
+
* HG00.616, 16 may,       Tom Speelman
−
* June 22       Daria / volunteer?
+
* HG00.616, 23 may,       Jesse Voorhorst (Goudappel, Deventer)
−
* June 29       Fabian Berger (HU Berlin)
+
* HG00.065, 30 may,      No meeting, PPIMM PhD Day
−
* July  6       Tijs / volunteer?
+
* HG00.065, 6  jun,       Joseph Salaris
−
* July 13       MSc Saba Ghasemlou
+
* HG01.029, 13 jun,       Ad
−
* July 20       Flavio Siro Brigiano (VU Brussel)
+
* HG01.029, 20 jun,       Dipanshu Kumar
−
* Aug 31      Gerrit / volunteer?
+
* HG01.029, 27 jun,       Gilles
−
* Sept 7       Gilles / volunteer?
+
 
−
* Sept 14      External speaker
+
== Group meeting schedule Theoretical and Computational Chemistry ==
−
* Sept 21      MSc Mart Simons
+
HG00.065, 25 apr, Marlene Bosquez
−
* Sept 28      MSc Matthieu Besemer
+
 
−
* Oct  5      External speaker
+
{| class="wikitable"
−
* Oct 12       MSc Taha Selim
+
! Name !! from !! date !! time !! location || title
−
* Oct 19      Daria / volunteer?
+
|-
−
* Oct 26       External speaker
+
| Marlene Bosquez || Budapest || Thursday, April-25-2024 || 11:00 || HG00.065 || Raman spectroscopy of thymine and uracil
−
* Nov   2      MSc Marijn Man
+
|-
−
* Nov  9       Gilles / volunteer?
+
| Tijs Karman || RU || Thursday, April-18-2024 || 11:00 || HG00.304 || BEC of dipolar molecules
−
* Nov 16      External speaker
+
|-
−
* Nov 23       MSc Saba Ghasemlou
+
| Jasper v/d Kraats || TU/e || Thursday, April-11-2024 || 11:00 || HG00.304 || Non-equilibrium correlation dynamics in the unitary Bose gas
−
* Nov 30       Gijs / volunteer?
+
|-
−
* Dec  7      External speaker
+
| Etienne Walraven || TCC || Tuesday, April-02-2024 || 11:00 || HG00.023 || Ultracold molecules: how not to lose them -- A step towards larger molecular quantum computers
−
* Dec 14      MSc Taha Selim
+
|-
−
* Dec  21      Ad / volunteer?
+
| Herma Cuppen || TCC || Tuesday, March-26-2024 || 11:00 || HG01.029 ||
 +
|-
 +
| Yuly Chamorro Mena || Groningen || Tuesday, March-19-2024 || 11:00 || HG01.029 ||
 +
|-
 +
| 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<sup>+</sup>
 +
|-
 +
|  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 C<sub>2</sub>H<sup>+</sup>
 +
|-
 +
| 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-C<sub>2</sub>H<sup>+</sup> weakly bound complex
 +
|-
 +
|}
 +
 
 +
== History, 2011-2016 ==
 +
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Revision as of 09:29, 26 April 2024

Preliminary schedule, subject to change

11am -- 12noon on Thursdays

  • 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

HG00.065, 25 apr, Marlene Bosquez

Name from date time location title
Marlene Bosquez Budapest Thursday, April-25-2024 11:00 HG00.065 Raman spectroscopy of thymine and uracil
Tijs Karman RU Thursday, April-18-2024 11:00 HG00.304 BEC of dipolar molecules
Jasper v/d Kraats TU/e Thursday, April-11-2024 11:00 HG00.304 Non-equilibrium correlation dynamics in the unitary Bose gas
Etienne Walraven TCC Tuesday, April-02-2024 11:00 HG00.023 Ultracold molecules: how not to lose them -- A step towards larger molecular quantum computers
Herma Cuppen TCC Tuesday, March-26-2024 11:00 HG01.029
Yuly Chamorro Mena Groningen Tuesday, March-19-2024 11:00 HG01.029
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

History, 2011-2016

Meetings 2011-2016

Retrieved from "https://wiki.theochem.ru.nl/index.php?title=Groupmeeting&oldid=281"