New approaches in materials design

The first conference of this series was organized by us exactly one year ago, on 13 December 2013. The idea was (and still is) to gather world leaders in this revolutionary field and create an informal atmosphere stimulating maximum learning and sharing of ideas. That conference was a big success, and we have decided to organize a bigger conference in 2014. Just like in 2013, the program consists mostly of invited lectures, but there is also space for the participants to present their oral and poster contributions. Attendance is free for everyone.

Register for the conference
11—12 December 2014
Borodin Hall, Mendeleev University of Chemical Technology
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Contacts

Contacts

Artem R. Oganov
  • artem.oganov@stonybrook.edu
Ilya Surov
  • ilya.surov@gmail.com
  • +7 903 707-18-86

Organizers

Moscow Institute of Physics and Technology (MIPT) and Mendeleev University of Chemical Technology (MUCT).

Venue

The conference and opera concert will take place at Borodin-Hall (Small Assembly Hall), Mendeleev University of Chemical Technology, 9 Miussky Square. Nearest subway stations: Mendeleevskaya or Novoslobodskaya.

Borodin-Hall is known as a place with perfect acoustics, and is one of the best concert venues of Moscow. It is named after Alexander Borodin, a renowned chemist and classical composer.

Visas

If you require visa to enter Russia, please contact Ilya Surov (ilya.surov@gmail.com) to obtain documents for visa application. Note that this takes time, so do this at your earliest convenience.

Hotel

Our lecturers will stay at Peking Hotel, a famous hotel located relatively near the conference site. We recommend this hotel to other participants as well.

Lunches and dinners

There are a plenty of good places to eat near the conference site. For lunches, we recommend Elki-Palki with traditional Russian food. For dinners, we recommend Georgian restaurants: Sakhli or Batoni.

Excursion

On Saturday, December 13, we will organize an excursion to the historical center of Moscow, with entry inside the Kremlin and other exciting places. Let us know if you are interested to join (one needs to pay for oneself).

Schedule

Thursday, 11 December 2014

9:00
Arrival.
9:30
Welcome speech by Rector of the Mendeleev University, Prof. V.A. Kolesnikov.
9:40
Vasili Perebeinos (Skoltech, Russia). Computational approach to electrical contacts in graphene and carbon nanotube transistors.
10:30
Yuri A. Uspensky (Lebedev Institute of Physics, MIPT, Russia) Prediction of atomic and electronic structures of nanoparticles and their ensembles.
11:00
Coffee break.
11:20
Qiang Zhu (Stony Brook University, USA). On the way to predicting pharmaceutical polymorphs.
11:35
Pavel Sorokin (TISNUM, Troitsk, Russia). Stiffening of stiffest 2D nanofilms. Computational study.
11:50
Alexandra Freidzon (Photochemistry Center, Russian Academy of Sciences). Multireference сomputational methods for organic electronics.
12:05
Konstantin Litasov (Novosibirsk University, Russia). High pressure crystal structures as a challenge from experimentalists to theorists.
12:35
Igor Blinov (MIPT). New periodic equation for quasicrystals.
12:50
LUNCH.
15:00
Richard Dronskowski (RWTH Aachen, Germany). New methods and tools to analyze chemical bonding in solids.
15:50
Vladimir G. Tsirelson (Mendeleev University of Chemical Technology, Russia). Looking for up-to-date bonding descriptors based on electron density.
16:40
Coffee break.
17:00
Davide Proserpio (Universita degli Studi di Milano, Italy; Samara State University, Russia). Crystal structure topology as a key for materials design.
17:50
Vadim Brazhkin (Institute for High-Pressure Physics, Russia) Two faces of high-pressure fluids: between glass and gas.
18:05
Short break.
18:30
Concert “Masterpieces of World's Opera". Vocals – Vera Kononova, piano – Dmitry Shvedov, Distinguished Artist of Russian Federation.
19:30
Dinner. Email Ilya Surov (ilya.surov@gmail.com) if you want to join

Friday, 12 December 2014

9:30
Mark Tuckerman (New York University, USA) Enhanced sampling techniques for the generation of free energy landscapes: Applications to polypeptides, crystals, and their melts.
10:20
Stefano Leoni (Cardiff University, U.K.). Materials on Demand: Chemical and Alchemical Approaches to Metastability in Solids.
11:10
Coffee break.
11:30
Oleksandr Isayev (University of North Carolina, USA). High-throughput computing: application to pharmaceutical, superconducting and other systems.
12:10
Lyudmila Slipchenko (Purdue University). Modeling intermolecular interactions from first principles.
12:25
Mikhail Vener (Mendeleev University of Chemical Technology, Moscow). Developing fundamental ground for design of highly soluble multicomponent (mixed) molecular crystals of drug use. Combined theoretical and experimental approach.
12:40
LUNCH.
14:40
Fei Qi (MIPT, Russia). Machine learning for crystal structure prediction and data mining.
15:20
Аlessandro Laio (SISSA, Trieste, Italy). Clustering by fast search-and-find-of density peaks.
16:10
Coffee break.
16:30
Anastassia Alexandrova (University of California, Los Angeles, USA). Design of artificial metalloenzymes.
17:10
Artem R. Oganov (Stony Brook University, USA; MIPT, Russia). Computational materials discovery: new methods and results.
18:00
Dinner.