V.A. Fock Meeting on Theoretical, Quantum and Computational Chemistry

Sochi
Krasnodarsky Krai, RUSSIA
1.10 - 5.10 2018

Dear colleagues!

We are very pleased to invite you to take part in the 16-th V.A. Fock Meeting on Theoretical, Quantum and Computational Chemistry, which will be held 1.10 - 5.10 2018 in the hotel Almira in Sochi, Krasnodarsky Krai, RUSSIA.

This session is organized by the A.N. Frumkin Institute of Physical chemistry and Electrochemistry RAS and the INDEPENDENT UNIVERSITY OF MOSCOW in collaboration with the V.A. Fock Meeting on Theoretical, Quantum and Computational Chemistry. Although 16-th in the series, it celebrates the 20-th anniversary of our first Meeting held, terrible to say, in the year 1998!

The scientific specialization of the Meeting:
The application of modern concepts and computational methods of quantum chemistry to study of chemical, physical and biological problems.

International Organizing Committee for the Meeting:

A.L. Buchachenko (MSU); V.I. Minkin (IPOC RSU); V.V. Tartakovsky (IOC RAS); A.A. Berlin (ICP RAS); I.V. Abarenkov (SPbSU); A.K. Buryak (IPCE RAS); R. Dronskowski (RWTH); F. Illas (IQTCUB); P.G. Szalay (Eötvös University); A.L. Tchougreeff (RWTH - Aachen Universtity/Frumkin Institue/IUM).

Advisory Board for the Meeting:

A. Savin - chairman (P&M Curie Université Sorbonne, International Academy of Quantum and Molecular Sciences); A.L. Buchachenko (ICP RAS - chairman honoris causa); I.B. Bersuker (Moldavian Academy of Science/Texas A&M University); R. Hoffmann (Cornell University); R.A. Evarestov (SPbSU - vice chairman) G.M. Zhidomirov (MSU - vice chairman); P. Alemany (Universidad Barcelona); F. Illas (IQTCUB); R. McWeeny (University of Pisa); R.R. Nazmutdinov (KSTU); R.M. Minyaev (IPOC SFU); G. Naray-Szabo (Eötvös University); P.N. Dyachkov (IGIC RAS); P. Fulde (MPIPKS Dresden); J.-P. Piquemal (P&M Curie Université Sorbonne); V.I. Pupyshev (MSU); A.L. Tchougreeff (RWTH - Aachen Universtity/Frumkin Institue/IUM); A.Y. Zakharov (NovSU).

Local Organizing Committee for the Meeting:

Prof. A.K. Buryak, Dr. L.N. Kolomiets, Prof. A.A. Fomkin, Dr. A.L. Tchougreeff.

The program of the Meeting includes invited lectures, oral presentations, poster session, subject discussions, round tables, electronic poster session, and software demonstrations. Some lectures will be delivered by leading experimentalists.

The list of the speakers is still open and the final program will be settled after receiving and analyzing the requests of the participants registered in the Information System.
The Meeting is open to all bona fide scientists irrespective to gender, race, religion, ethnic orgin, nationality and whatsoever.

So far confirmed participants are:

• Prof Pere Alemany, Departament de Química Física and Institut de Química Teórica i Computacional, U, Spain
  Stopping power beyond the adiabatic approximation: application to polymeric materials
• Prof. Dr. Yuriko Aoki, Department of Material Sciences, Faculty of Engineering Sciences, Kyushu University, Japan
  Elongation method for efficient material design by quantum chemical calculations
• Prof. Elena Besley, School of Chemistry, University of Nottingham, United Kingdom
  
• Dr Lyubov Bulusheva, Nikolaev Institute of Inorganic Chemistry, SB RAS, Russia
  The role of nitrogen defects for stabilization of Pt-group metals on graphene layers and hydrogen generation from formic acid
• Prof Nina Gritsan, Institute of Chemical Kinetics and Combustion of SB RAS, Russia
  Computational modelling of the spectroscopic and magnetic properties of lanthanide complexes: the ytterbocene complexes with redox-active ligands
• Prof. Vladimir Minkin, Institute of Physical Organic Chemistry, Rostov-on-Don University, Russia
  DFT study of the transition metal coordination compounds with non-innocent ligands
• Prof. Ruslan Minyaev, Southern Federal University, Russian Federation
  
• Prof. Alexander Nemukhin, Chemistry Dept., MSU, Russia
  Solving the mystery of the deceptively simple reaction of enzymatic hydrolysis of guanosine triphosphate
• Prof. Alexander Okotrub, Nikolaev Institute of Inorganic Chemistry SB RAS, Russia
  Interaction of molecules with chemically modified surface of graphene
• Prof Taku Onishi, Graduate School of Engineering, Mie University, Japan
  Molecular Orbital Analysis of Hydrogen Transportation in Perovskite Oxides
• Dr Evgeny Plekhanov, Kings College London, UK
  ΘΦ: Solid State Quantum Chemistry Package Allowing RVB and BCS Ground States
• Dr Anna Pomogaeva, Inorganic Chemistry Group, Institute of Chemistry, St. Petersburg State University, Russia
  Chain and ring [H2PEH2]n oligomers. Why B-P and Al-P polymers differ?
• Prof Gerhard Raabe, Institut für Organische Chemie RWTH Aachen University , Germany
  Quantum-Chemical ab initio Calculations on Heteroaromatics (C₅H₅X, X=B, Al, Ga, In, Tl)
• Prof. Vitaly Rassolov, Department of Chemistry and Biochem. University of South Carolina, USA
  Development of dynamic electron correlation model for the geminal ansatz.
• Prof. Vladimir Saleev, Samara State University, Russia
  Ab initio study of magnesium surface properties with CRYSTAL program package
• Prof. Andreas Savin, Laboratoire de Chimie TheoriqueCNRS et Universite Pierre et Marie Curie, France
  Chemical Bonding and Interpretation of Time-Dependent Electronic Processes with Maximum Probability Domains
• Prof Victor Solomonik, Ivanovo State University of Chemistry and Technology, Russia
  Novel insights into spectroscopy of lanthanide containing species from first-principles calculations
• Dr Andrei Tchougreeff, Frumkin Institute, Russia
  Topology of the Fermi surfaces of group V crystalline polymorphs and optical response in the amorphous-crystalline and sphalerite-rocksalt phase pairs of GeTe phase change material
• Dr alexey Timoshkin, St. Petersburg State University, Russia
  Acidity and reactivity of group 13 Lewis acids and superacids
• Prof Nadezhda Vitkovskaya, Irkutsk State University, Russia
  Models of superbase-catalyzed acetylene transformations: A quantum-chemical insight
• Prof. Anatoly Zakharov, Novgorod State University, Russia
  Towards thermodynamics of few-body systems

Important dates
Since the RFBR requires the full program of the Meeting to be submitted together with the application the Organizers had to set
The deadline of abstract submissions: 1.5 2018.
The Organizers will appreciate if you conform with this deadline since it significantly improves our chances to get the support from the RFBR.
The deadline of receiving the registeration fee by bank transfer: 1.9 2018.
The registration desk will be open on Sunday 30.09 afternoon from 16.00 to 18.00 and on Monday morning 8.30 - 10.00.
Arrival: People arriving at the Sochi International Airport (AER) should communicate their arrival time and flight to the local organizers at fock@qcc.ru in order to organize transfer.

Accomodation will be provided in the hotel Almira.

Visas. Information on visas is available on the web page. The citizens of the following countries do not need visa to come to Russia: Azerbaijan, Argentina, Armenia, Belarus, Bosnia and Herzegovina, Brazil, Chile, Colombia, Cuba, Ecuador, Fiji, Guatemala, Israel, Kazakhstan, Kyrgyzstan, Macedonia, Moldova, Montenegro, Nicaragua, Peru, Serbia, South Korea, Tajikistan, Thailand, Turkey, Uzbekistan, Ukraine, Uruguay, Venezuela. To obtain the invitation for a visa (so called, visa support) it is necessary to fill in the visa support form and send it to the Secretary of the local Organizing Committee at fock@qcc.ru together with a copy (pdf) of the "first" page of your travel passport (one with photo, number, issue and expiration date etc). Before filling out the form please consult at your travel agent or visa centrum or at the Russian Embassy/Consulate in your Country to which Consular District - specific Consulate - your visa application is going to be lodged and fill in this information in the second row of the form (just above PERSONAL DETAILS). Please notice, this information must reach the Organizers before 15.08.2018 . Otherwise we cannot guarantee that the visa support reaches you in time.

Fees. Organization fee is equivalent of EURO 400 for academic participants and EURO 300 for students paid in a convenient currency.

Participants from industry will be asked to pay a registration fee in equivalent of EURO 700 or better to have their companies make a more substantial contribution to the Meeting with appropriate recognition in the program, publications, and at our WWW site.

Fee includes

• Attendance to all Meeting scientific sessions.
• Meeting material (documentation & Meeting program).
• Certificate of attendance and/or participation.
• Coffee-breaks.
• Lodging at the hotel Almira for the period of the Meeting.
• Welcome reception on 1.10.2018.
• Cultural Program.
• Meeting dinner.

The form of payment:
USD:
To be paid in cash on the spot.
EUR:
To be paid in cash on the spot.

RUR: Please consult the Russian version of the page.

Venue. The opening of the Meeting and all its sessions will take place in the hotel Almira. Information on how to reach the location of the conference is available here.

Working language of the Meeting is English.

Participation. In order to take part in the Meeting, first register in the Meeting Information System by filling out the electronic form. The electronic registeration is free.

In order to submit your contribution prepare it, first, in the HTML format (only one contribution per registered participant is allowed). Then upload your it through the Information System. Follow the " Submit " link. Instructions are given on the abstract submission page. The deadline of the abstract submission is 1.8.2018. To browse the submitted contributions enter the System by clicking here and follow the "Browse " link. A submission is considered valid (e.g. is considered by the referees for definitively assigning the format of your contribution or appears in the "Browse " list after paying the registration fee).

The organisers reached an agreement with the Editors of the Crystals Journal published by the Molecular Diversity Promotion Institute to provide a 10% discount for the papers submitted by the participant of the Meeting to the special thematic issue 'Quantum and Molecular Mechanic Analysis of Crystalline Materials' which fairly overlaps with the thematic of our Meeting. If the paper is of high quality (that is, receives two 'minor correction' reports or a 'minor' and 'accept' reports), an additional 10% discount can be given. The submission deadline is set to 10.11.2018 .

All information concerning the Meeting is located at the URL: http://qcc.ru/fock/htdocs//meeting.en.php.

We are glad to welcome you in Sochi.

Last-modified: 12:06:37 04.08.2018