Starts 16 Apr 2018
Ends 20 Apr 2018
Central European Time
ICTP
Budinich Lecture Hall (LB)
Strada Costiera, 11 I - 34151 Trieste (Italy)
DEADLINE for requesting participation: 20 NOVEMBER 2017

DIRECTORS:
B.J. Braams, CWI, Amsterdam, Netherlands
H.-K. Chung, IAEA, Vienna, Austria
G. Csányi, University of Cambridge, U.K.
A.G. Császár, MTA-ELTE Complex Chemical Systems Research Group,       
                                                                      Budapest, Hungary
A.I. Krylov, University of Southern California, Los Angeles, U.S.A.

LOCAL ORGANIZER:   
G. Thompson, ICTP, Trieste, Italy

The Abdus Salam International Centre for Theoretical Physics (ICTP) and the International Atomic Energy Agency (IAEA) will jointly organize this School and Workshop on Fundamental Methods for Atomic, Molecular and Materials Properties in Plasma Environments.
 
The one-week event at ICTP in Trieste, from 16 to 20 April 2018, will provide training and information exchange for computational scientists working on models and data for atomic, molecular and materials processes relevant to fusion energy research, industrial plasmas, laser-produced plasmas, astrophysical plasmas, and warm and hot dense matter. The training is aimed at advanced Ph.D. students, postdocs and other young researchers. The information exchange will span several disciplines: from molecules to materials and from method developments to data treatments. Topics related to energetic events and electronically excited states are emphasized throughout the programme. The schedule features lectures by international experts, invited and contributed research talks, posters and discussion sessions, with ample time available for interaction and discussions.

A scientific contribution (normally a poster, but some may be selected for a talk) is expected from each participant. Applicants are requested to attach a one-page abstract of their contribution in the Research Abstract sub-section under Professional Data when completing the online application form.  A number of poster prizes will be awarded, courtesy of the journal Physical Chemistry Chemical Physics (PCCP).
 
TOPICS:
Advanced electronic structure approaches. Equation-of-motion and other wavefunction-based methods for excited electronic states. Coupled cluster methods applied to solids. State-of-the art methods for alloys and liquid metals. New developments based on reduced density matrices and the density matrix renormalization group.
 
Nuclear quantum dynamics. Quantum treatments of scattering. Path integral molecular dynamics including treatment of multiple electronic surfaces. Determination of reaction rates beyond Arrhenius scaling.
 
Potential energy and property surfaces. Machine-learning and kernel-based methods. Methods for multiple electronic states and their interactions.
 
Uncertainty assessment and uncertainty propagation. Uncertainty correlations and other topics.
 
Applications. Electronic and atomic collisions in plasmas. Plasma-material interaction and radiation damage of materials.

INVITED SPEAKERS:
V. Averbuck, Imperial College London, U.K.
A.D. Baczewski, Sandia National Laboratory, Albuquerque, NM, U.S.A.
K. Burke, UC Irvine, California, U.S.A.
A. De Vita, King’s College London, U.K.
W.M.C. Foulkes, Imperial College London, U.K.
S. Fritzsche, GSI and Friedrich Schiller University, Jena, Germany
C.H. Greene, Purdue University, Lafayette, IN, U.S.A.
M.P. Head-Gordon, UC Berkeley, CA, U.S.A.
K. Heinola, University of Helsinki, Finland and CCFE/JET, U.K.
T. Hickel, MPIE, Düsseldorf, Germany
T.-C. Jagau, Ludwig-Maximilians-Universität, Munich, Germany
J.R. Kermode, Warwick University, U.K.
J. Kohanoff, Queen’s University Belfast, U.K.
N. Moiseyev, Technion, Haifa, Israel
T. Oda, Seoul National University, Seoul, Republic of Korea
R. Santra, Center for Free-Electron Laser Science, Hamburg, Germany
J.E. Subotnik, University of Pennsylvania, Philadelphia, PA, U.S.A.
J. Tennyson, University College London, U.K.
U. Von Toussaint, IPP, Garching, Germany
D.R. Trinkle, University of Illinois, Urbana-Champaign, IL, U.S.A.
G.A. Worth, University College London, U.K.
Z. Zeng, CAS Institute for Solid State Physics, Hefei, China
P. Zhang, Peking University and IAPCM, Beijing, China
Z. Zhao, National University of Defense Technology, Changsha, China
B. Ziaja-Motyka, DESY, Hamburg, Germany

Organizers

Hyun-Kyung Chung (IAEA, Vienna, Austria), Bastiaan J. Braams (Centrum Wiskunde & Informatica, Amsterdam, Netherlands), Attila G. Császár (Eötvös Loránd University, Budapest, Hungary), Gábor Csányi (University of Cambridge, UK), Anna Krylov (University of Southern California, Los Angeles, CA, USA), Local Organiser: George Thompson

Co-sponsors