Online Meeting: May 17-19

The CECAM workshop brings together a community of researchers in theoretical chemistry and chemical physics in the fields of reaction dynamics, molecular structure and spectroscopy of ultracold molecules in the gas phase or under cryogenic environments, all characterized by strong nuclear quantum effects. The main goal is to bridge the gap between highly accurate methods usable in small, few degrees of freedom molecular reactions to more approximate schemes needed to address more complex systems in the presence of a cold environment, in the regime where each solvent atom counts but also in the limit of much larger media such as helium nanodroplets.

We wish to discuss a broad range of methods, from purely quantum approaches to more approximate semiclassical or effective methods and even continuous descriptions, and evaluate room for cross-fertilization and the possible development of hybrid methods.

The workshop will have three main sessions will focus on (1) gas phase reaction dynamics, (2) molecules at equilibrium or (3) undergoing chemical reactions in cryogenic environments.

DAY 1, May 17^th

14:00   Organizers Opening Remarks 

14:05   Paul Scheier: Highly charged helium droplets: a cool tool to grow size well-defined clusters and nanoparticles abstract

15:05   Marta I. Hernández: Mechanisms for permeation of chemisorbed hydrogen atoms through graphene abstract

15:50   Virtual coffee break on gather.town

16:05   Christoph Schran: Quantum solvation of reactive species enabled by neural networks abstract

16:50   Fabien Brieuc: Local supersolidity of ⁴He around a charged molecular impurity abstract

17:35   Virtual coffee break on gather.town

17:50 Franco A. Gianturco: Modelling energy-transfer kinetics of small molecular ions in cold trap environments with different buffer gases: interaction potentials, quantum dynamics and kinetics from ab initio methods abstract

18:35  Massimiliano Bartolomei: Naphthalene-rare gas interaction: intermolecular potential energy surfaces and clusters' structures abstract

DAY 2, May 18^th

14:00   Stefan Willitsch: Collisions and chemistry in hybrid systems of cold molecular ions and ultracold atoms: experiments and theory  abstract

15:00 Jeremy Hutson:  Ultracold collisions and molecule formation in optical tweezers  abstract

15:45   Virtual coffee break on gather-town

16:00  Cecilia Coletti: On the effect of long-range interactions in low-energy collisions abstract

16:45  Alexandra Viel: Photodetachment spectrum of NO₃^- : Jahn-Teller effect and artificial neural network abstract

17:30   Virtual coffee break on gather.town

17:45 Thierry Stoecklin: Calculation of the predissociation spectra of the ³⁵Cl^-(H₂) complex ans its isotopologue ³⁵Cl^-(D₂) recently measured in an ionic trap at low temperature abstract

18:30 Manuel Lara: Parametrizing ultracold complex-mediated reactions using statistical assumptions abstract

DAY 3, May 19^th

14:00  Andrew Ellis: Spectroscopic studies of molecules and molecular ions using helium nanodroplets abstract

15:00 Mariana Rossi :  Nuclear quantum effects in intramolecular hydrogen dynamics abstract

15:45   Virtual coffee break on gather.town

16:00  José Campos-Martínez: Quantum sieving of helium isotopes through two-dimensional membranes abstract

16:45  David Bonhommeau: Mixed quantum-classical fragmentation dynamics of Ar_nHe₁₀₀₀ (n=3-5) ionized by electron impact abstract

17:30   Virtual coffee break on gather.town

17:45  Stuart Althorpe: Real-time dynamics from imaginary-time path-integrals: Theory and practice abstract

18:30 Octavio Roncero: Quantum roaming in the complex forming mechanisms of th reactions of OH with formaldehyde and methanol at low temperature and low pressure: a ring polymer molecular dynamics approach abstract

Click here to get a larger version of the Conference Photo

(1) Users guide for Zoom: Zoom guide

(2) Users guide for Gather.town: Gather.town

Mariana Rossi       MPI for the Structure and Dynamics of Matter, Hamburg (Germany)

Jeremy Hutson     Univ. Durham (United Kingdom)

Stefan Willitsch    Dep. Chemistry, Basel (Switzerland)

Octavio Roncero IFF CSIC, Madrid (Spain)

Franco A. Gianturco     Univ. Innsbruck (Austria)

Marta I. Hernández IFF CSIC, Madrid (Spain)

David Bonhommeau GSMA, Reims (France)

Massimiliano Bartolomei IFF CSIC, Madrid (Spain)

Christoph Schran RUB Bochum (Germany)

Fabien Brieuc CEA, DAM, DIF Arpajon (France)

Cecilia Coletti Univ. Chieti-Pescara (Italy)

Paul Scheier   Univ. Innsbruck (Austria)

Andrew Ellis   Univ. Leicester (UK)

José Campos-Martínez IFF CSIC, Madrid (Spain)

Alexandra Viel  Univ. Rennes (France)

Stuart Althorpe Univ. Cambridge (UK)

Manuel Lara  Univ. Autónoma Madrid (Spain)

Thierry Stoecklin  Univ. Bordeaux (France)

• Florent Calvo : Université Grenoble Alpes,CNRS, Grenoble (France)
• Javier Hernández-Rojas : Universidad de La Laguna, La Laguna, Tenerife (Spain)
• Nadine Halberstadt: LCAR-IRSAMC, CNRS and University Paul Sabatier Toulouse (France)
• Tomás González-Lezana : Instituto de Física Fundamental, CSIC, Madrid (Spain)