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Energy Landscapes 2019

Belgrade, Serbia, 26th-30th August 2019

Organisers: David J. Wales and Dejan Zagorac

HOT TOPICS
Applications from spectroscopy to the solid state
Folding and misfolding of proteins, DNA and RNA, multiscale modelling
Designing landscapes for self-assembly and multifunctional systems
Landscapes for machine learning
Atomic, molecular, colloidal and nanoalloy clusters

Venue: Hotel Palace in Belgrade  http://www.palacehotel.co.rs/en/

HOTEL BOOKING:
Please send an e-mail to: office@palacehotel.rs
Subject: ELAND2019
In the e-mail specify: Code ELAND2019
Single room (meaning 1 participant, 4 nights including, breakfast, lunch dinner, 235 EUR)
Or Double room (meaning 2 participants, 4 nights, including breakfast, lunch dinner, 390 EUR)

 

The registration fee of £135 should be paid by credit card using this link: https://onlinesales.admin.cam.ac.uk/conferences-and-events/chemistry/energy-landscapes/energy-landscapes-2019

 

PRACTICAL INFORMATION

Currency: Serbian dinar (RSD) (1 EUR = approx. 118 RSD)

TRANSPORT

By plane:

Belgrade Airport is an international gateway just 20 minutes from  the city center. The Belgrade Nikola Tesla Airport is the largest and busiest airport in Serbia, with direct connections all around the world.
https://beg.aero/eng/flights#departures      https://www.airserbia.com/en-RS/flights

Connections from the airport:

А1 Mini bus: Route: Airport ‒ Slavija Square (Kralja Milutina Street) ‒ Airport (comes every 20 minutes)
Ticket price - RSD 300 (approx. 2.5 EUR) to be bought in the bus -  approximate travel time - 30 minutes
https://beg.aero/eng/parking_access/transport/public_transportation
 From Slavija Square to Hotel Palace, there are several possibilities, using  public transport (trolley/tram/bus) or walking about 25 min. If you choose this option, you can contact the organizers for advice (please inform us as soon as possible).

Taxi:  For all information, please contact the city service TAXIINFO, located in the baggage claim area at Nikola Tesla Airport and take the taxi receipt to the airport Info Desk, specifying the desired destination and the price.
Appox . taxi rate from Airport-Hotel Palace: 12-15 EUR for daytime arrivals (6:00-22:00)
Appox . taxi rate from Airport-Hotel Palace: 15-20 EUR for night arrivals (22:00-6:00)

By bus/train:

 From Main Bus/Train station to the Hotel Palace, there are several possibilities to use public transport (trolley/tram/bus) or take a taxi. 
If you choose this option, you can contact the organizers for advice (please inform us as soon as possible)

By Car

Belgrade is the capital of Serbia, connected by highways and the Hotel Palace is located in the city center. There is large public parking garage 300 m away(5 min walking distance). More details:
https://parking-servis.co.rs/eng/garages-and-car-parks/garage-obilicev-v...

 


Meeting Schedule
Day 0: Monday (26th August 2019): ARRIVAL 

Official welcome reception at the conference hotel 19:00-19:30

 

Talks are 25 minutes + 10 minutes discussion
 Day 1: Tuesday (27th) 

9:00 - 9:10 AM Welcome to Energy Landscapes 2019, David Wales
9:10 AM - 9.45 AM Biman Bagchi, Free energy landscape of insulin dimer dissociation
9:45 AM - 10:20 AM Vladimir Mandelshtam, Quantum-induced disordering in anionic hydrogen and deuterium clusters

10:20 AM - 10:55 AM Atreyee Banerjee, Crystal Structure Prediction for Benzene Using Basin-Hopping
10:55 AM - 11:20 AM coffee break 
11:20 AM - 11:55 AM  Karl Heinz Hoffmann, Preferential Trapping and Controlled Dynamics on Energy Landscapes
11:55 AM - 12:30 PM Anna Garden, Finding low-lying minima structures of Au and Pt nanoclusters

Afternoon break

5:00 PM - 5:35 PM M. Cebela, Bismuth ferrite (BiFeO3): A multidisciplinary approach to multiferroics
5:35 PM - 6:10 PM Snezana Zaric, Energy landscapes of aromatic/aromatic interactions

 


Day 2: Wednesday (28th) 
9:00 AM - 9.35 AM Arnulf Moebius, Algorithms which aim at fast bracketing interval reduction for the 
solution of nonlinear equations and one-dimensional minimization: how 
answering a simple question leads to simultaneously highly efficient and 
very robust procedures

9:35 AM - 10:10 AM David Furman, Exploring energy landscapes of reactive condensed-phase systems

10:10 AM - 10:45 AM Vladimir Damljanovic, The connection between electronic dispersions and symmetries of two- and  three-dimensional single crystals
10:45 AM - 11:10 AM coffee break
11:10 AM - 11:45 AM Igor Pasti, Reactivity of graphene basal plane around point defects and surface  functional groups
11:45 AM - 12:20 PM Christian Schoen, Energy landscape explorations of molecules in vacuum and on surfaces


Afternoon break. Guided walking tour of Belgrade.

 

5:30 PM - 6:30 PM poster session

J. Lukovic, Synthesis, Characterization, and Prediction of New Crystal Structures of WSi2 using ab initio data mining approach

Manuel Perez Jigato, The CuBO2 conundrum: neither delafossite nor monoclinic
T. Škundrić, Structure prediction and energy landscapes of the novel  CrSiN system
T. Škundrić, Energy landscapes of ZnO on atomic scale
M. Čebela, Structural and magnetic properties of holmium doped BiFeO3
G. Weal, Using a CNA-based structural comparison method to improve the efficiency of the genetic algorithm 
Q. Zhu, A Data-Driven Accelerated Sampling Method for Searching Functional States of Proteins

Dusica Jovanovic, Theoretical investigations of pristine  and doped TiO2 using DFT


7:00 PM conference dinner 

Orasac Restaurant          https://www.restoranorasac.com/sr/o-nama

 

Day 3: Thursday (29th) 
9:00 AM - 9.35 AM Szilard Fejer, A minimalistic model for nanoscale closed-shell structures based on ionic interactions: Goldberg shells and beyond
9:35 AM - 10:10 AM  Tom Swinburne, Autonomous exploration of defective crystal energy landscapes using kinetic uncertainty measures

10:10 AM - 10:45 AM Igor Popov, Multifunctional nanodevice based on a Ti2O monolayer
10:45 AM - 11:10 AM coffee break 
11:10 AM - 11:45 AM Ben Shires,  Visualising energy landscapes using stochastic neighbour embedding

11:45 AM - 12:20 PM Dasari L V K Prasad, Evolutionary free energy landscape of Ag-Au compositional alloys

 

Afternoon. Visit to the Tesla Museum.

 


5:00 PM - 5:35 PM  John Morgan, Pasta, viruses and chiropoles: a novel coarse-grained chiral potential
5:35 PM - 6:10 PM Arnulf Moebius, The metal-insulator transition in disordered solids:
How theoretical prejudices influence its characterization A critical 
review of analyses of experimental data

 

Day 4: Friday (30th)
9:00 AM - 9.35 AM  Sridhar Neelamraju, Energy landscapes of some knotted proteins
9:35 AM - 10:10 AM Asem Hassan, Describing collective motions in a large biomolecular assembly

10:10 AM - 10:45 AM J. Zagorac, Local ab initio optimizations of globally predicted CeON compound using  empirical potentials
10:45 AM - 11:10 AM coffee break
11:10 AM - 11:45 AM Alasdair Keith, Using the Energy Landscape to Elucidate Protein-Ligand Interactions
11:45 AM - 12:20 PM  D. Zagorac, Structure prediction and energy landscape investigations of ZnO1-xSx  solid solutions using threshold algorithm and PCAE method
 

 DEPARTURE