2nd MOLIM General Meeting

MOLIM2016 programme.

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Day 2 Day 3 Day 4

Sunday, 09. October 2016.

18:00

Registration

Hotel Lero

Monday, 10. October 2016.

08:00

Registration

Hotel Lero

Duration: 15'

08:15

Opening

Duration: 15'

08:30

MOLIM Invited

New Laser Methods² to Access₂ Symmetrical Vibrational States of Acetylene

Lauri Halonen

Hotel Lero

Duration: 30'

09:00

MOLIM Keynote

Glavni naslov

Kratki naslov

Hotel Lero

Duration: 45'

MOLIM Invited

High resolution Spectroscopy of small organic molecules and astrophysical molecules

Isabelle Kleiner

Hotel Lero

Duration: 30'

09:30

MOLIM Invited

Photogeneration of Rare Molecules in Cryogenic Matrices

Rui Fausto

Hotel Lero

Duration: 30'

10:00

MOLIM Invited

Anharmonic Theoretical Vibrational Spectroscopy with Localized Modes

Christoph Jacob

Hotel Lero

Duration: 30'

10:30

Coffee Break

Hotel Lero

Duration: 30'

11:00

MOLIM Invited

Generation of accurate potential energy surfaces of molecular systems of astrophysical and atmospheric interest

Majdi Hochlaf

Hotel Lero

Duration: 30'

11:30

MOLIM Invited

Accurate Evaluation of Intermolecular Potentials and Properties

Berta Fernández Rodríguez

Hotel Lero

Duration: 30'

12:00

MOLIM Invited

Tensor decomposition in potential energy surface representations

Guntram Rauhut

Hotel Lero

Duration: 30'

12:30

Lunch

Hotel Lero

Duration: 90'

14:00

MOLIM Invited

Recent Results on the Time Dependent Quantum Dynamics of Mode Selective Intramolecular Energy Flow and Tunneling in Polyatomic Molecules and Clusters

Martin Quack

Hotel Lero

Duration: 30'

14:30

MOLIM Invited

Photodissociation of HNC and HNC isomers in the UV, from 7 to 13 eV

Octavio Roncero

Hotel Lero

Duration: 30'

15:00

MOLIM Invited

Modelling of spectral properties and electron transfer in Re, Ir and Pt organometallic complexes

Stanislav Záliš

Hotel Lero

Duration: 30'

15:30

Coffee Break

Hotel Lero

Duration: 30'

16:00

MOLIM Invited

Solved and Unsolved Problems in Modelling Superfluid Helium Nanodroplet-Mediated Synthesis and Soft-Deposition of a New Generation of Metallic Nanoparticles

Maria Pilar de Lara-Castells

Hotel Lero

Duration: 30'

16:30

MOLIM Invited

Astronomical complex organic molecules in space: the crucial frequency information from rotational spectroscopy

Cristina Puzzarini

Hotel Lero

Duration: 30'

17:00

MOLIM Invited

Low Energy Motion of H2 on a Metallic Surface

Gilberte Chambaud

Hotel Lero

Duration: 30'

17:30

Poster Session

Hotel Lero

Duration: 120'

MOLIM MC Meeting

Hotel Lero

Duration: 120'

19:30

Dinner

Hotel Lero

Tuesday, 11. October 2016.

08:30

MOLIM Invited

Coupled Translation-Rotation Dynamics and Spectroscopy of H2 and H2O in C60: Rigorous Quantum Treatment

Zlatko Bačić

Hotel Lero

Duration: 30'

09:00

MOLIM Invited

Correlated motion in atomic and molecular three-particle systems

Hazel Cox

Hotel Lero

Duration: 30'

09:30

MOLIM Invited

Molecules in motion observed with x-rays

Klaus Møller

Hotel Lero

Duration: 30'

10:00

MOLIM Invited

First-quantized relativistic geminal-based many-particle quantum mechanics

Markus Reiher

Hotel Lero

Duration: 30'

10:30

Coffee Break

Hotel Lero

Duration: 30'

11:00

MOLIM Invited

From metrology of spectral line shapes to fundamental

Roman Ciurylo

Hotel Lero

Duration: 30'

11:30

MOLIM Invited

Multi-way Analysis in Molecular Dynamics Simulations

Tomica Hrenar

Hotel Lero

Duration: 30'

12:00

MOLIM Invited

Multilevel Coupled Cluster methods for transient NEXAFS Spectroscopy

Henrik Koch

Hotel Lero

Duration: 30'

12:30

Lunch

Hotel Lero

Duration: 90'

14:00

MOLIM YSF

Ultrafast spin-flip dynamics in transition metal complexes triggered by soft X-ray light

Sergey I. Bokarev

Hotel Lero

Duration: 15'

14:15

MOLIM YSF

Exploration of a unified framework for nonadiabatic dynamics and photoelectron spectroscopy

Aurora Ponzi

Hotel Lero

Duration: 15'

14:30

MOLIM YSF

Laser control of the photodissociation of CO2+

J. Loreau

Hotel Lero

Duration: 15'

14:45

MOLIM YSF

Calculating the CH5+ IR Spectrum with the Phase Integration Method

M. Mališ

Hotel Lero

Duration: 15'

15:00

MOLIM YSF

Vibration Induced Bond Formation and Breaking

Teemu Järvinen

Hotel Lero

Duration: 15'

15:15

MOLIM YSF

YSF Discussion

Hotel Lero

Duration: 15'

15:30

Coffee Break

Hotel Lero

Duration: 30'

16:00

MOLIM YSF

Computational studies of structural and electronic properties in Amyloids: from a single chain in solution to crystals

Luca Grisanti

Hotel Lero

Duration: 15'

16:15

MOLIM YSF

Using nonadiabatic surface-hopping dynamics in order to understand the excited state electronic structure of pyrrole

Marin Sapunar

Hotel Lero

Duration: 15'

16:30

MOLIM YSF

Applying Direct Quantum Dynamics to Photo-Excited Processes: Proton Transfer and Charge Migration

Kaite Eryn Spinlove

Hotel Lero

Duration: 15'

16:45

MOLIM YSF

Theoretical Study of the Nature of S-π Interactions, Their Role in Activation Process of Dopamine D2 Receptor and Comparison with Se-π Systems

Milan Senćanski

Hotel Lero

Duration: 15'

17:00

MOLIM YSF

Modeling of multiple conical intersections in adiabatic single-sheeted potential energy surfaces: the case of ground-state C3

Carlos M. R. Rocha

Hotel Lero

Duration: 15'

17:15

MOLIM YSF

YSF Discussion

Hotel Lero

Duration: 15'

17:30

Poster Session 2

Hotel Lero

Duration: 120'

19:30

Dinner

Hotel Lero

Wednesday, 12. October 2016.

08:30

MOLIM Invited

Ab Initio, Post-Harmonic Vibrational Calculations: Bigger and better?

Joel Bowman

Hotel Lero

Duration: 30'

09:00

MOLIM Invited

The Gateway Hamilton Operator: Theory and Practice

Viktor Szalay

Hotel Lero

Duration: 30'

09:30

MOLIM Invited

Hydrogen Bonding in Water-Methanol and Water-Ammonia Clusters

Tomaž Urbič

Hotel Lero

Duration: 30'

10:00

MOLIM Invited

Optimizing the Multicycle Rotational Cooling of Diatomic Molecules

Shimshon Kallush

Hotel Lero

Duration: 30'

10:30

Coffee Break

Hotel Lero

Duration: 30'

11:00

MOLIM Invited

Nonadiabatic dynamics including intersystem crossing

Leticia González

Hotel Lero

Duration: 30'

11:30

MOLIM Invited

Concerted hydrogen-bond breaking by quantum tunneling

Jeremy Richardson

Hotel Lero

Duration: 30'

12:00

MOLIM Invited

Using Direct Quantum Dynamics to Study Non-adiabatic Photochemistry

Graham Worth

Hotel Lero

Duration: 30'

12:30

Closing and Lunch

Hotel Lero

Duration: 90'

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