About

The 15-th Central European Symposium on Theoretical Chemistry (CESTC 2017) will take place in Wisła in the Silesian Beskid mountain region. The conference will be held on September 3-6, 2017 in the Hotel Stok ****. We expect participants from Austria, the Czech Republic, Hungary, Poland and Slovakia. The total number of participants is limited to about 110.

When

September 3-6, 2017

Where

Hotel STOK ****
Address: Jawornik 52a, 43-460
Wisła, Poland

Travel

Travel directions can be found here.

Organizers


Monika Musiał, Chair (musial@ich.us.edu.pl)
Stanisław Kucharski (sak@ich.us.edu.pl)

LOCAL ORGANIZING COMMITTEE

Aleksander Hulist (ahulist@us.edu.pl)
Patrycja Skupin
Anna Bewicz
Artur Lisoń

University of Silesia in Katowice (Poland),
Institute of Chemistry,
Department of Theoretical Chemistry

Szkolna 9, 40-006, Katowice
phone: +48 (32) 359 15 45
fax: +48 (32) 259 99 78

Organizers

Registration

Dates

Dates

Early bird registration: before May 10, 2017
Regular registration deadline: July 31, 2017  closed

We kindly inform that the number of participants of CESTC 2017 conference is limited to 110 and we are sorry to inform that the registration is closed.

Fee details

Fee details

Registration fee includes 3 nights accomodation and meals (breakfests, lunches, dinners) during the conference, admission to the scientific sessions, conference materials, conference services at the venue and the coffee breaks.

Registration Fee Early rate
paid by 10.05.2017
Regular rate
paid by 31.07.2017
Student (in double room) 280 € 300 €
Regular (in double room) 305 € 325 €
Regular (in single room) 350 € 370 €
Accompanying person* 275 € 295 €

* includes conference catering and accomodation in double room.

The early bird registration is extended till May 20 2017.
The above costs do not include insurance. Please take into account that the number of single rooms is limited and their reservations will be made on the first come, first served basis.

Payment

Payment

The payment should be made by a bank transfer to the following account:

Bank Account Number (IBAN): PL 74 1050 1214 1000 0007 0000 7909
SWIFT: INGBPLPW
Bank Name: ING Bank Slaski S.A. O/Katowice
Bank Address: ul. Mickiewicza 3, 40-951 Katowice, Poland
Bank Account Holder Name
(Beneficiary Name):
Uniwersytet Slaski w Katowicach
Beneficiary Address: ul. Bankowa 12, 40-007 Katowice, Poland
Beneficiary VAT Identification Number: 634-019-71-34 (Country Code: PL)

The bank transfer should start from "CESTC2017" followed by participant's name and surname.

Payment can be made by a bank transfer. Checks or credit cards of any kind are not accepted. When arranging a bank transfer payment, please make sure that all relevant bank charges will be covered along with the full amount due. We cannot cover any fee connected with your bank transfer payment.

Registration Form

Registration Form

We expect participants from Austria, the Czech Republic, Hungary, Poland and Slovakia ONLY (plus a number of invited speakers from other countries).
We also kindly ask accompanying persons to fill out the registration form.

Please, proceed here for your registration:
Registration Form

Cancellation

Cancellation

Cancellation requests must be received in writing to email address: cestc@us.edu.pl. For cancellation made before July 31, 2017, all fees less administrative costs will be reimbursed. No refunds will be made after this date. All refunds will be processed via bank transfer after the Conference.

Registration
Abstracts

Abstracts

All speakers and poster presenters are invited to submit an abstract. All abstracts must be submitted as a PDF file through the Abstract Collection Site by July 31, 2017. The number of oral presentations is limited. In case of overbooking, the organizers plan to make selection of the lectures, consulted with national coordinators. Final selection of abstracts will be done at the end of July 2017. Notification of the decision on the oral or poster presentations will be sent to the Conference Participants at the beginning of August 2017. The abstract must be prepared in advance using templates located below. Abstracts should be no more than one page in length. Presenting Author's name should be underlined.

The abstract submission deadline has been extended from July 31 2017 to August 4 2017.

Templates for abstracts are available:

Microsoft Word (.docx) template

LaTeX (.tex) template

The abstract should be named last_name_presenting_author.pdf.

By submitting this Abstract, the Author or Authors authorize the organizers of CESTC 2017 to publish and/or reproduce the Abstract in its entirety as they see fit (including electronically) for the purposes of supporting and publicizing the Conference.

Poster boards are 95 cm wide by 240 cm high.

Invited speakers

Confirmed invited speakers:

  • Millard Alexander
  • Ad van der Avoird
  • Rodney Bartlett
  • Nadja Doslic
  • Matus Dubecky
  • György Ferenczy
  • Maciej Gutowski
  • Frank Harris
  • Andreas Hesselmann
  • Georg Jansen
  • Anne-Marie Kelterer
  • Ondrej Marsalek
  • Alston Misquitta
  • Hendrik Monkhorst
  • Robert Moszyński
  • Peter Nagy
  • Lukas Pasteka
  • Konrad Patkowski
  • Piotr Piecuch
  • Mariusz Puchalski
  • Petr Slavicek
  • Krzysztof Szalewicz

Program

Program & Book of Abstracts is available for download here.

Day 1 : Sunday 3.09

2:00 - 3:50 PM Registration
3:50 - 4:00 PM Opening of the Conference: M. Musiał
4:00 PM Session S1 Chair: M. Urban
4:00 - 4:40 PM Nadja Došlić
Theory Meets Experiment: Photochemistry of Bio-organic Molecules
4:40 - 5:20 PM Petr Slavíček
Chemistry Triggered by Light: Molecular Simulations in UV and X-ray domains
5:20 - 6:00 PM Matúš Dubecký
Noncovalent Interactions by Quantum Monte Carlo
6:00 - 6:15 PM Maria Barysz
Electronic Structure of Gold Clusters: SiAu, SiAu+ and SiAu
6:15 - 6:30 PM Attila Tajti
On the Impact of the Terms in the Second Order Hamiltonian on Excitation Energies of Valence and Rydberg States
7:00 - 8:30 PM Dinner
8:30 - 10:00 PM Poster session 1

Day 2 : Monday 4.09

8:50 - 9:00 AM Opening of the special Monday sessions: R. Moszyński
9:00 AM Session M1 Chair: R. Moszyński
9:00 - 9:30 AM Frank Harris
Recent Work on Extended Hylleraas Methods
9:30 - 10:00 AM Hendrik Monkhorst
A Possible Future with Fusion Power
10:00 - 10:30 AM Rod Bartlett
Quantum Chemical Methods for Core Excitation and Atto-second Spectroscopy
10:30 - 11:00 AM Coffee break
11:00 AM Session M2 Chair: K. Szalewicz
11:00 - 11:30 AM Robert Moszyński
Two-body and many-body physics in the ultracold regime: a quantum chemist's perspective
11:30 - 12:00 PM Millard Alexander
The role of resonances in the reactivity of F with H2 at low temperature
12:00 - 12:30 PM Ad van der Avoird
Challenging state-of-the-art ab initio intermolecular potentials with experimental data
12:30 - 2:00 PM Lunch
2:00 PM Session M3 Chair: G. Chałasiński
2:00 - 2:30 PM Piotr Piecuch
High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions
2:30 - 3:00 PM Maciej Gutowski
Why H4O2+ has never been observed?
3:00 - 3:30 PM Alston Misquitta
From SAPT to derived intermolecular potentials using the iterated stockholder atoms (ISA) approach
3:30 - 4:00 PM Coffee break
4:00 PM Session M4 Chair: T. Korona
4:00 - 4:30 PM Krzysztof Szalewicz
Dispersion energy in density-functional theory
4:30 - 5:00 PM Georg Jansen
Standing on broad shoulders: recent extensions of symmetry-adapted perturbation theory for short-range effects
5:00 - 5:30 PM Andreas Hesselmann
Description of intramolecular interactions using an incremental molecular fragmentation method
5:30 - 6:00 PM Konrad Patkowski
New Developments in Symmetry-Adapted Perturbation Theory
7:00 - 10:00 PM Banquet

Day 3 : Tuesday 5.09

9:00 AM Session T1 Chair: P. Čársky
9:00 - 9:40 AM Anne-Marie Kelterer
New Insights in the Hydrogen Atom Transfer of the Blue Aroxyl
9:40 - 10:20 AM György Ferenczy
Hybrid quantum mechanics/molecular mechanics (QM/MM) method development and applications to biochemical systems
10:20 - 10:35 AM Ewa Brocławik
Controlling electron density transfer by spin status and environment for Co(II)-NO adducts in zeolites: WF, DFT and periodic modeling
10:35 - 10:50 AM Alexander Sax
Towards atomic-level mechanics: Adhesive Forces Between Aromatic Molecules and Carbon Nanotubes
10:50 - 11:10 AM Coffee break
11:10 AM Session T2 Chair: A.M. Kelterer
11:10 - 11:50 AM Lukáš Pašteka
Search for Variation of Fundamental Constants
11:50 - 12:30 PM Ondřej Maršálek
Quantum dynamics and spectroscopy of ab initio aqueous solutions: the interplay of nuclear and electronic quantum effects
12:30 - 12:45 PM Zsuzsanna Tóth
Calculating lower bound to the energy eigenvalues of the Hamiltonian
12:45 - 1:00 PM Marcin Czapla
Novel properties of superhalogen anions
1:00 - 2:30 PM Lunch
3:00 - 6:00 PM Social program
7:00 - 8:30 PM Dinner
8:30 - 10:00 PM Poster session 2

Day 4 : Wednesday 6.09

9:00 AM Session W1 Chair: P. Surján
9:00 - 9:40 AM Mariusz Puchalski
Accurate calculations with explicitly correlated functions for molecular hydrogen
9:40 - 9:55 AM Ádám Margócsy
Ring-CCD Correction to Geminal Wave Functions
9:55 - 10:10 AM Katarzyna Pernal
Intriguing van der Waals interactions revealed by electron-groups embedding approach
10:10 - 10:25 AM Michał Przybytek
Coupling of nuclear and electronic motion in many-electron diatomic molecules
10:25 - 10:40 AM Piotr Gniewek
Variational formulation of symmetry-adapted perturbation theory
10:40 - 11:00 Coffee break
11:00 AM Session W2 Chair: J. Noga
11:00 - 11:40 AM Péter Nagy
Approaching CCSD(T)/CBS energies for large molecules with the linear-scaling local natural orbital CCSD(T) method
11:40 - 11:55 PM Leszek Meissner
A posteriori corrections to the configuration interaction method: a single-reference and multi-reference study
11:55 - 12:10 PM Michał Jaszuński
Nuclear Magnetic Moments from Measured and Computed NMR Spectral Parameters
12:10 - 12:25 PM Éva Mihálka
Dissociation potential curves from single reference Moller-Plesset PT
12:25 - 12:40 PM Dorra Khiri
Thermochemical properties of halogenated peroxy and alkoxy radicals of atmospheric interest
12:40 - 2:00 PM Lunch
Departure

Students - authors of the best poster in each session will be awarded a prize. Posters will be evaluated by the national coordinators based on scientific value and form of presentation.

Program

Conference Chair:

Prof. Monika Musiał

Institute of Chemistry, University of Silesia in Katowice

Szkolna 9, 40-006, Katowice, Poland

+48 (32) 359 16 75
musial@ich.us.edu.pl
cestc@us.edu.pl