XXIX IUPAP Conference on Computational Physics, CCP2017 , Paris

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‹ Tuesday, July 11, 2017 ›

09:00

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11:00

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15:00

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23:00

›9:00 (2h)

Plenary

› Auditorium (Main conference center)

9:00 - 11:00 (2h)

Plenary

Auditorium (Main conference center)

› Nuclear Physics as Precision Science - Ulf-G Meißner, Universität Bonn and Forschungszentrum Jülich 09:00-10:00 (1h)

› Numerical Relativity in the Era of Multi-Messenger Astronomy - Manuela Campanelli, Rochester Institute of Technology 10:00-11:00 (1h)

›11:00 (30min)

Coffee break

› Patio

11:00 - 11:30 (30min)

Coffee break

Patio

›11:30 (1h)

Plenary

› Auditorium (Main conference center)

11:30 - 12:30 (1h)

Plenary

Auditorium (Main conference center)

› Multiscale characterization of macromolecular dynamics - Cecilia Clementi, Rice University 11:30-12:30 (1h)

›12:30 (1h20)

Lunch

› Patio

12:30 - 13:50 (1h20)

Lunch

Patio

›13:50 (1h40)

Materials Science

› 108/44-45

13:50 - 15:30 (1h40)

Materials Science

108/44-45

› Absence of spin edge polarization of acenes in the long-chain limit - Michele Casula, IMPMC 13:50-14:15 (25min)

› Accurate ground-state correlation energies within the RPA and beyond: Theory and applications to molecules and zeolites - Dario ROCCA, Laboratoire CRM2 14:15-14:40 (25min)

› Electronic and Structural Properties of K-doped NiO Mott-Insulator : Quantum Monte Carlo Study - Hyeondeok Shin, Argonne National Laboratory 14:40-15:05 (25min)

› Development of a joint refinement model for the one-electron reduced density matrix using different data sets - Saber Gueddida, Laboratoire Structures, Propriétés et Modélisation des Solides, CentraleSupélec Paris 15:05-15:30 (25min)

›13:50 (1h40)

Classical Statistical Mechanics

› 105/44-54

13:50 - 15:30 (1h40)

Classical Statistical Mechanics

105/44-54

› Deep Learning for Fatigue Estimation on the Basis of Multimodal Human-Machine Interactions - Nikita Gordienko, National Technical University of Ukraine "Igor Sikorsky Kyiv Polytechnic Institute" 13:50-14:15 (25min)

› Non-canonical spin glass of polyhedral spin models on quasi-regular lattices - Tasrief Surungan, Department of Physics, Hasanuddin University, Makassar, South Sulawesi 90245, Indonesia 14:15-14:40 (25min)

› Synchronisation of Conservative Parallel Discrete Event Simulations in Small World Network - Liliia Ziganurova, Science Center in Chernogolovka, Department of Applied Mathematics - State University Higher School of Economics 14:40-15:05 (25min)

› GPU accelerated population annealing algorithm and its application to first- and second-order phase transitions - Lev Barash, Landau Institute for Theoretical Physics, Science Center in Chernogolovka 15:05-15:30 (25min)

›13:50 (1h40)

Quantum Many Body Physics

› 107/44-54

13:50 - 15:30 (1h40)

Quantum Many Body Physics

107/44-54

› Ab initio approach to strong correlations in lanthanide compounds: from localized magnets to heavy-fermions. - Leonid Pourovskii, Centre de Physique Théorique 13:50-14:15 (25min)

› Simulations of electron energy loss spectra with turboEELS - Oleksandr Motornyi, Laboratoire des Solides Irradiés 14:15-14:40 (25min)

› Controlled summation of diagrammatic series for the unitary Fermi gas: bold diagrammatic Monte Carlo, large-order asymptotics and conformal-Borel transformation - Félix Werner, Laboratoire Kastler Brossel 14:40-15:05 (25min)

› Towards exascale simulations of quantum superfluids far from equilibrium - Piotr Magierski, Warsaw University of Technology (WUT), Poland 15:05-15:30 (25min)

›14:00 (1h30)

Chemical Physics

› 106/44-45

14:00 - 15:30 (1h30)

Chemical Physics

106/44-45

› Rare Events Methods, Reaction Coordinates, and Useful Rate Theories - Baron Peters, University of California, Santa Barbara 14:00-14:40 (40min)

› Ab initio molecular dynamics simulations of RNA nucleotides in hydrothermal prebiotic environment - Andrea Pérez Villa, Institut de minéralogie, de physique des matériaux et de cosmochimie 14:40-15:05 (25min)

› Open Boundary / Grand-Canonical Adaptive Resolution Simulations of Ionic Liquids - Christian Krekeler, Freie Universität Berlin 15:05-15:30 (25min)

›14:00 (1h30)

Soft Matter and Biophysics

› 109/44-54

14:00 - 15:30 (1h30)

Soft Matter and Biophysics

109/44-54

› Molecular simulations of membrane sensing and remodeling - Gerhard Hummer, Max Planck Institute of Biophysics, Goethe University Frankfurt 14:00-14:40 (40min)

› Electron Transfer in Organic and Biological Materials - Antoine Carof, University College London 14:40-15:05 (25min)

› Protein adaptation to high temperatures does not necessary require enhanced mechanical stability - Guillaume Stirnemann, CNRS Laboratoire de Biochimie Théorique, Institut de Biologie Physico-Chimique, Univ. Paris Denis Diderot, Sorbonne Paris Cité, PSL Research University 15:05-15:30 (25min)

›15:30 (30min)

Coffee break

› Patio

15:30 - 16:00 (30min)

Coffee break

Patio

›16:00 (1h40)

Materials Science

› 108/44-45

16:00 - 17:40 (1h40)

Materials Science

108/44-45

› Interplay between morphology and properties of core-shell Fe@Au nanoparticles - Magali BENOIT, CEMES 16:00-16:25 (25min)

› UV-Visible Absorption Spectra of Silver Clusters from TDDFT Calculations. - Romais Schira, Institut Lumière Matière 16:25-16:50 (25min)

› On the coordination of the Zn(II) ion in bistriflimide-based Ionic Liquids: Structural and dynamics properties at varying nature of the cation. - Francesco Sessa, Dipartimento di Chimica, Università degli Studi di Roma "La Sapienza" [Rome] 16:50-17:15 (25min)

› Unraveling the Icosahedral geometry of a light lanthanoid ion in a protic ionic liquid: a combined Molecular Dynamics and EXAFS study. - Alessandra Serva, Dipartimento di Chimica, Università degli Studi di Roma "La Sapienza" [Rome] 17:15-17:40 (25min)

›16:00 (1h40)

Classical Statistical Mechanics

› 105/44-54

16:00 - 17:40 (1h40)

Classical Statistical Mechanics

105/44-54

› Phase transitions in evolutionary space games - Evgeni Burovski, State University Higher School of Economics 16:00-16:25 (25min)

› Contour analysis of multi-affine nanostructure AZO thin films - sakineh hosseinabadi, Department of Physics, East Tehran Branch, Islamic Azad University, Tehran, Iran 16:25-16:50 (25min)

› Melting transition of skyrmion lattice in a two-dimensional chiral magnet - Yoshihiko Nishikawa, The University of Tokyo 16:50-17:15 (25min)

› Effect of temperature specification on simulated ergodicity - Richard Ocaya, University of the Free State 17:15-17:40 (25min)

›16:00 (1h40)

Chemical Physics

› 106/44-45

16:00 - 17:40 (1h40)

Chemical Physics

106/44-45

› On the dynamics through a conical intersection - Federica Agostini, Laboratoire de Chimie Physique, UMR 8000 CNRS/University Paris-Sud, University Paris-Saclay 16:00-16:25 (25min)

› Nuclear quantum effects in molecular dynamics simulations - Hichem Dammak, Laboratoire Structures, Propriétés et Modélisation des solides 16:25-16:50 (25min)

› Estimating thermodynamic expectations and free energies in expanded ensemble simulations: systematic variance reduction through conditioning - Manuel Athenes, Service de recherches de métallurgie physique 16:50-17:15 (25min)

› Free energies of solvation and binding, and solvent positions around any molecule in few minutes by rigorous liquid state theories - Maximilien Levesque, Processus d'activation sélective par transfert d'énergie uni-électronique ou radiatif 17:15-17:40 (25min)

›16:00 (1h40)

Quantum Many Body Physics

› 107/44-54

16:00 - 17:40 (1h40)

Quantum Many Body Physics

107/44-54

› Assessing theoretical spectroscopy from novel first-principle approaches - Steffen Backes, Centre de Physique Théorique [Palaiseau] 16:00-16:25 (25min)

› Off-Diagonal Expansion Quantum Monte Carlo - Itay Hen, University of Southern California [Los Angeles] 16:25-16:50 (25min)

› Dynamics of nuclear fission within the time-dependent generator coordinate method - David Regnier, Institut de Physique Nucléaire d'Orsay 16:50-17:15 (25min)

› Connected Determinant Diagrammatic Monte Carlo: polynomial-time complexity thanks to the fermionic sign - Riccardo Rossi, Laboratoire de Physique Statistique de l'ENS 17:16-17:40 (24min)

›16:00 (1h40)

Soft Matter and Biophysics

› 109/44-54

16:00 - 17:40 (1h40)

Soft Matter and Biophysics

109/44-54

› The challenge for Gram-negative bacteria: Towards in-silico screening of antibiotics for fast permeation through nanopores - matteo ceccarelli, Department of Physics 16:00-16:25 (25min)

› Finding protein folding funnels in random networks - Macoto Kikuchi, Cybermedia Center, Osaka University 16:25-16:50 (25min)

› Theoretical studies on stability and dynamics of protein complex by a coarse-grained model - Satoshi Nakagawa, Kanazawa University - Kazutomo Kawaguchi, Kanazawa University - Isman Kurniawan, Kanazawa University - Arwnsyah Saleh, Kanazawa University - Koichi Kodama, Kanazawa University - Hidemi Nagao, Kanazawa University 16:50-17:15 (25min)

› Weak Nanoscale Chaos And Anomalous Relaxation in DNA - Alexey Mazur, Institut de biologie physico-chimique 17:15-17:40 (25min)

›18:00 (1h30)

Posters

› Patio

18:00 - 19:30 (1h30)

Posters

Patio

›20:00 (3h)

Dinner Gala

20:00 - 23:00 (3h)

Dinner Gala

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