Planning

Sunday, July 9, 2017

Time Event  
17:00 - 20:00 Welcome reception - Welcome reception at the patio  

Monday, July 10, 2017

Time Event  
08:50 - 09:00 Welcome (Auditorium (Main conference center))  
09:00 - 11:00 Plenary (Auditorium (Main conference center))  
09:00 - 10:00 › Materials discovery and scientific design by computation: what does it take? - Giulia Galli, University of Chicago  
10:00 - 11:00 › Multiscale Lattice Boltmann Simulations at the Physics-Biology Interface - Sauro Succi, CNR, Rome  
11:00 - 11:30 Coffee break  
11:30 - 12:30 Plenary (Auditorium (Main conference center))  
11:30 - 12:30 › The Quantum Way of Doing Computations - Rainer Blatt, Universtität Innsbruck  
12:30 - 13:50 Lunch (Patio)  
14:00 - 15:30 Materials Science (108/44-45)  
14:00 - 14:40 › Car and Parrinello meet Green and Kubo: simulating heat transport from ab initio equilibrium molecular dynamics. - Stefano Baroni, SISSA, Trieste  
14:40 - 15:05 › Phonon-phonon interactions in semiconductors and in bismuth, and their effect on the electronic and thermal transport. - Nathalie Vast, Laboratoire des Solides Irradiés  
15:05 - 15:30 › Quantum model of optical properties and thermal emission of superradiant electronic excitations - Angela Vasanelli, Matériaux et Phénomènes Quantiques - Simon HUPPERT, Matériaux et Phénomènes Quantiques  
14:00 - 15:30 Classical Statistical Mechanics (105/44-54)  
14:00 - 14:40 › Scalable and efficient first-principles based Monte Carlo simulations on high performance computers - Ying Wai Li, Oak Ridge National Laboratory  
14:40 - 15:05 › Wang-Landau algorithm with the control of accuracy - Lev Shchur, Landau Institute for Theoretical Physics, National Research University Higher School of Economics, Science Center in Chernogolovka  
15:05 - 15:30 › Large deviations for equilibrium and non–equilibrium processes - Alexander Hartmann, Institut of Physics, University of Oldenburg,  
14:00 - 15:30 Chemical Physics (106/44-45)  
14:00 - 14:40 › Modelling Supramolecular Polymers - BALASUBRAMANIAN SUNDARAM, Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru 560064, India  
14:40 - 15:05 › SFG spectroscopy of Silica/water interfaces by DFT-MD simulations - Simone Pezzotti, Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement  
15:05 - 15:30 › Improving Solubility in Supercritical CO2: Theoretical Studies of CO2-philic Compounds and Solubilizers - Francesca INGROSSO, SRSMC UMR 7565, SRSMC UMR 7565  
14:00 - 15:30 Quantum Many Body Physics (107/44-54)  
14:00 - 14:40 › Cluster multipole theory for anomalous Hall effect in antiferromagnets - Ryotaro Arita, RIKEN Center for Emergent Matter Science  
14:40 - 15:05 › Spin-Charge Coupling in Unconventional Superconductors: Insights from Diffusion Monte Carlo - Awadhesh Narayan, Materials Theory, ETH Zurich  
15:05 - 15:30 › Doping dependence of charge order in electron-doped cuprate superconductors - Shiping Feng, Department of Physics, Beijing Normal University  
14:00 - 15:30 Atomic, Molecular and Optical Physics (109/44-54)  
14:00 - 14:40 › Towards controlled description of correlated fermions: diagrammatic Monte Carlo for the Hubbard model - Evgeni Kozik, King's College London  
14:40 - 15:05 › C++QED: a framework for simulating open quantum dynamics – the first ten years - András Vukics, Department of Quantum Optics & Quantum Information, Institute for Solid State Physics and Optics, Wigner Research Centre for Physics of the Hungarian Academy of Sciences  
15:05 - 15:30 › Numerical simulation of sympathetic cooling in radiofrequency ion traps for studies on antimatter - Nicolas Sillitoe, Laboratoire Kastler Brossel  
15:30 - 16:00 Coffee break (Patio)  
16:00 - 17:40 Materials Science (108/44-45)  
16:00 - 16:25 › Quantum effect on site preference and diffusion of interstitial hydrogen in face-centered cubic metals - Hajime Kimizuka, Department of Mechanical Science and Bioengineering, Osaka University  
16:25 - 16:50 › Structural and dynamical properties of methane hydrate under high pressure via Raman spectroscopy and first-principles molecular dynamics including nuclear quantum effects. - sofiane schaack, Institut des Nanosciences de Paris  
16:50 - 17:15 › Regulation of structure and thermoelectric properties of the smallest SnTe nanowires via encapsulation within single-walled carbon nanotubes - Andrij Vasylenko, Department of Physics [Warwick]  
17:15 - 17:40 › Multiscale modelling of nanoscale materials and electronic transport - Wolfgang Wenzel, Karlsruhe Institute of Technology  
16:00 - 17:40 Classical Statistical Mechanics (105/44-54)  
16:00 - 16:25 › Computations of self-assembly of rod-like particles on a plane - Nikolai Lebovka, Taras Shevchenko National University, Institute of Biocolloidal Chemistry named after F. D. Ovcharenko, NAS of Ukraine - Yuri Tarasevich, Astrakhan State University  
16:25 - 16:50 › Vapor nucleation under extreme confinement. - Simone Meloni, Dept. of Mechanical and Aerospace Engineering, University of Rome "Sapienza"  
16:50 - 17:15 › Nucleation to percolation: crack growth in random spring ladder - Purusattam Ray, The Institute of Mathematical Sciences  
16:00 - 17:40 Chemical Physics (106/44-45)  
16:00 - 16:25 › Simplifying calculations of IR and Raman spectra from DFT-based molecular dynamics simulations - Daria Ruth Galimberti, Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement  
16:25 - 16:50 › Vibrational energy relaxation at water interfaces from ab initio molecular dynamics simulations - Dominika Lesnicki, Department of Physics, Johannes Gutenberg University Mainz  
16:50 - 17:15 › All-trans, all-cis and mixed isomers of azobenzene star: A multiscale simulation study - Markus Koch, Leibniz-Institute of Polymer Research Dresden, Technische Universität Dresden  
17:15 - 17:40 › Hidden Beneath the Surface: Origin of the Observed Enantioselective Adsorption on PdGa(111) - Daniele Passerone, Swiss Federal Laboratories for Materials Science and Technology  
16:00 - 17:40 Quantum Many Body Physics (107/44-54)  
16:00 - 16:25 › Carbon nanotubes as excitonic insulators - Massimo Rontani, CNR Istituto Nanoscienze, Research Center S3  
16:25 - 16:50 › Recent Advances in Thermally-Assisted-Occupation Density Functional Theory (TAO-DFT) - Jeng-Da Chai, Department of Physics, National Taiwan University  
16:50 - 17:15 › Dephasing and disorder effects in the topological systems - X. C. Xie, Collaborative Innovation Center of Quantum Matter, International Center for Quantum Materials and School of Physics, Peking University  
17:15 - 17:40 › Nature of Quasi-Particle Excitations in the Spin-1/2 Square-Lattice Heisenberg Antiferromagnet - Hui Shao, Physics Department, Boston University, Beijing Computational Science Research Center  
18:00 - 19:30 Posters (Patio)  

Tuesday, July 11, 2017

Time Event  
09:00 - 11:00 Plenary (Auditorium (Main conference center))  
09:00 - 10:00 › Nuclear Physics as Precision Science - Ulf-G Meißner, Universität Bonn and Forschungszentrum Jülich  
10:00 - 11:00 › Numerical Relativity in the Era of Multi-Messenger Astronomy - Manuela Campanelli, Rochester Institute of Technology  
11:00 - 11:30 Coffee break (Patio)  
11:30 - 12:30 Plenary (Auditorium (Main conference center))  
11:30 - 12:30 › Multiscale characterization of macromolecular dynamics - Cecilia Clementi, Rice University  
12:30 - 13:50 Lunch (Patio)  
13:50 - 15:30 Materials Science (108/44-45)  
13:50 - 14:15 › Absence of spin edge polarization of acenes in the long-chain limit - Michele Casula, IMPMC  
14:15 - 14:40 › Accurate ground-state correlation energies within the RPA and beyond: Theory and applications to molecules and zeolites - Dario ROCCA, Laboratoire CRM2  
14:40 - 15:05 › Electronic and Structural Properties of K-doped NiO Mott-Insulator : Quantum Monte Carlo Study - Hyeondeok Shin, Argonne National Laboratory  
15:05 - 15:30 › 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  
13:50 - 15:30 Classical Statistical Mechanics (105/44-54)  
13:50 - 14:15 › 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"  
14:15 - 14:40 › Non-canonical spin glass of polyhedral spin models on quasi-regular lattices - Tasrief Surungan, Department of Physics, Hasanuddin University, Makassar, South Sulawesi 90245, Indonesia  
14:40 - 15:05 › 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  
15:05 - 15:30 › 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  
13:50 - 15:30 Quantum Many Body Physics (107/44-54)  
13:50 - 14:15 › Ab initio approach to strong correlations in lanthanide compounds: from localized magnets to heavy-fermions. - Leonid Pourovskii, Centre de Physique Théorique  
14:15 - 14:40 › Simulations of electron energy loss spectra with turboEELS - Oleksandr Motornyi, Laboratoire des Solides Irradiés  
14:40 - 15:05 › 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  
15:05 - 15:30 › Towards exascale simulations of quantum superfluids far from equilibrium - Piotr Magierski, Warsaw University of Technology (WUT), Poland  
14:00 - 15:30 Chemical Physics (106/44-45)  
14:00 - 14:40 › Rare Events Methods, Reaction Coordinates, and Useful Rate Theories - Baron Peters, University of California, Santa Barbara  
14:40 - 15:05 › 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  
15:05 - 15:30 › Open Boundary / Grand-Canonical Adaptive Resolution Simulations of Ionic Liquids - Christian Krekeler, Freie Universität Berlin  
14:00 - 15:30 Soft Matter and Biophysics (109/44-54)  
14:00 - 14:40 › Molecular simulations of membrane sensing and remodeling - Gerhard Hummer, Max Planck Institute of Biophysics, Goethe University Frankfurt  
14:40 - 15:05 › Electron Transfer in Organic and Biological Materials - Antoine Carof, University College London  
15:05 - 15:30 › 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  
15:30 - 16:00 Coffee break (Patio)  
16:00 - 17:40 Materials Science (108/44-45)  
16:00 - 16:25 › Interplay between morphology and properties of core-shell Fe@Au nanoparticles - Magali BENOIT, CEMES  
16:25 - 16:50 › UV-Visible Absorption Spectra of Silver Clusters from TDDFT Calculations. - Romais Schira, Institut Lumière Matière  
16:50 - 17:15 › 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]  
17:15 - 17:40 › 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]  
16:00 - 17:40 Classical Statistical Mechanics (105/44-54)  
16:00 - 16:25 › Phase transitions in evolutionary space games - Evgeni Burovski, State University Higher School of Economics  
16:25 - 16:50 › Contour analysis of multi-affine nanostructure AZO thin films - sakineh hosseinabadi, Department of Physics, East Tehran Branch, Islamic Azad University, Tehran, Iran  
16:50 - 17:15 › Melting transition of skyrmion lattice in a two-dimensional chiral magnet - Yoshihiko Nishikawa, The University of Tokyo  
17:15 - 17:40 › Effect of temperature specification on simulated ergodicity - Richard Ocaya, University of the Free State  
16:00 - 17:40 Chemical Physics (106/44-45)  
16:00 - 16:25 › On the dynamics through a conical intersection - Federica Agostini, Laboratoire de Chimie Physique, UMR 8000 CNRS/University Paris-Sud, University Paris-Saclay  
16:25 - 16:50 › Nuclear quantum effects in molecular dynamics simulations - Hichem Dammak, Laboratoire Structures, Propriétés et Modélisation des solides  
16:50 - 17:15 › Estimating thermodynamic expectations and free energies in expanded ensemble simulations: systematic variance reduction through conditioning - Manuel Athenes, Service de recherches de métallurgie physique  
17:15 - 17:40 › 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  
16:00 - 17:40 Quantum Many Body Physics (107/44-54)  
16:00 - 16:25 › Assessing theoretical spectroscopy from novel first-principle approaches - Steffen Backes, Centre de Physique Théorique [Palaiseau]  
16:25 - 16:50 › Off-Diagonal Expansion Quantum Monte Carlo - Itay Hen, University of Southern California [Los Angeles]  
16:50 - 17:15 › Dynamics of nuclear fission within the time-dependent generator coordinate method - David Regnier, Institut de Physique Nucléaire d'Orsay  
17:16 - 17:40 › Connected Determinant Diagrammatic Monte Carlo: polynomial-time complexity thanks to the fermionic sign - Riccardo Rossi, Laboratoire de Physique Statistique de l'ENS  
16:00 - 17:40 Soft Matter and Biophysics (109/44-54)  
16:00 - 16:25 › The challenge for Gram-negative bacteria: Towards in-silico screening of antibiotics for fast permeation through nanopores - matteo ceccarelli, Department of Physics  
16:25 - 16:50 › Finding protein folding funnels in random networks - Macoto Kikuchi, Cybermedia Center, Osaka University  
16:50 - 17:15 › 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  
17:15 - 17:40 › Weak Nanoscale Chaos And Anomalous Relaxation in DNA - Alexey Mazur, Institut de biologie physico-chimique  
18:00 - 19:30 Posters (Patio)  
20:00 - 23:00 Dinner Gala - Dinner Gala at La Coupole  

Wednesday, July 12, 2017

Time Event  
09:00 - 11:00 Plenary (Auditorium (Main conference center))  
09:00 - 10:00 › Potential Energy Surfaces and Berry Phases beyond the Born-Oppenheimer Approximation: A New Approach to Non-Aadiabatic Dynamics - E.K.U. Gross, Max Planck Institute of Microstructure Physics  
10:00 - 11:00 › Theoretical Physics is More than Equations: The African School for Electronic Structure Methods and Applications - Richard M. Martin, University of Illinois at Urbana Champaign, Stanford University  
11:00 - 11:30 Coffee break (Patio)  
11:30 - 12:30 Plenary (Auditorium (Main conference center))  
11:30 - 12:30 › Tensor Network Renormalization - IUPAP C20 Young Scientist Prize, IUPAP C20: Glen Brian Evenbly, University of Sherbrooke  
12:30 - 13:50 Lunch (Patio)  
13:50 - 15:30 Materials Science (108/44-45)  
14:15 - 14:40 › Chemisorption of Hydroxides on Carbon and Boron Nitride Nanomaterials from Ab Initio Calculations. - Benoit Grosjean, École Normale Supérieure  
14:40 - 15:05 › Multiscale Modeling of the Insertion and Diffusion of H-3 and Cl-36 in UNGG Graphite - Christoph Lechner, EDF R&D - Department Materials and Mechanics of Components (MMC)  
15:05 - 15:30 › Molecular dynamics modeling of graphite and graphene melting - Nikita Orekhov, Moscow Institute of Physics and Technology, Joint Institute for High Temperatures of the Russian Academy of Sciences  
13:50 - 14:40 Classical Statistical Mechanics (107/44-54)  
13:50 - 14:15 › Random Field Ising Model with Conserved Kinetics: Super-Universality Violation, Logarithmic Growth Law and the Generalized Tomita Sum Rule - Varsha Banerjee, Indian Institute of Technology, Delhi  
14:15 - 14:40 › Improving and testing the population annealing Monte Carlo algorithm - Martin Weigel, Coventry University  
14:00 - 15:30 Nuclear, Particle and Fields Physics (105/44-54)  
14:00 - 14:40 › Machine Learning from the proton structure to Higgs pair production at the LHC - Juan Rojo, Vrije University, Amsterdam  
14:40 - 15:05 › Transformed Lattice Rules for Feynman Loop Integrals - Elise de Doncker, Western Michigan University  
15:05 - 15:30 › ATLAS Track reconstruction at the energy frontier - Alex Kastanas, KTH Royal Institute of Technology  
14:00 - 15:30 Energy Storage and Production (106/44-45)  
14:00 - 14:40 › Understanding Ionic liquids role in energy application from calculations - Barbara Kirchner, University of Bonn  
14:40 - 15:05 › MODELLING NANOPOROUS GRAPHENE-BASED SUPERCAPACITORS - Trinidad Méndez Morales, Maison de la Simulation - CEA  
15:05 - 15:30 › Confinement Effects on an Electron Transfer Reaction in Nanoporous Carbon Electrodes - Zhujie LI, Maison de la Simulation, PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX, Réseau sur le stockage électrochimique de l'énergie  
14:15 - 15:30 Soft Matter and Biophysics (109/44-54)  
14:15 - 14:40 › Conformational dynamics of the human Guanylate binding protein 1 from Hamiltonian replica exchange MD simulations and FRET experiments - Bogdan Barz, Jülich Research Centre, ICS-6: Structural Biochemistry, Heinrich Heine University Düsseldorf, Institute of Theoretical and Computational Chemistry  
14:40 - 15:05 › Mesoscale Hydrodynamic Simulation of Microswimmers - Roland Winkler, Forschungszentrum Jülich  
15:05 - 15:30 › Monte Carlo simulation for pattern formation of run-and-tumble chemotactic bacteria - Shugo Yasuda, University of Hyogo  
14:40 - 15:30 Quantum Many Body Physics (107/44-54)  
14:40 - 15:05 › Coupled Electron-Ion Monte Carlo study of hydrogen under extreme conditions - Markus Holzmann, CNRS, Université Grenoble-Alpes  
15:05 - 15:30 › Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory - Yann GARNIRON, IRSAMC-Lab. de Chimie et Physique Quantiques  
15:30 - 16:00 Coffee break (Patio)  
16:00 - 17:40 Materials Science (108/44-45)  
16:00 - 16:25 › Atomistic Simulations of the Assembly of Large Gold Nanocrystals - Johannes Richardi, De la Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies  
16:25 - 16:50 › On the oxidation state of titanium in titanium dioxide - Sergei Manzhos, National University of Singapore  
16:50 - 17:15 › Ab initio study of inorganic perovskites: towards the prediction of PbZr_1-x_Ti_x_O_3 (PZT) IR spectrum - Yoann PEPERSTRAETE, Synchrotron SOLEIL, Institut de Chimie Moléculaire et des Matériaux d'Orsay  
17:15 - 17:40 › Study of the ferroelectric properties of epitaxially strained SrTaO2N by means of DFT all-electrons first principles calculations. - Roberto Alonso, Instituto de Física La Plata, Conicet, Argentina  
16:00 - 16:50 Chemical Physics (106/44-45)  
16:00 - 16:25 › Analysis of local bond-orientational order for liquid gallium at ambient pressure - Ten-Ming Wu, Institute of Physics, National Chiao-Tung University  
16:25 - 16:50 › Interlayer binding of bilayer blue phosphorus: quantum Monte Carlo study - Jeonghwan Ahn, Konkuk University  
16:00 - 17:15 Quantum Many Body Physics (107/44-54)  
16:00 - 16:25 › Importance of correlation effects for theoretical description of pressure induced electronic transitions: IMT, ETT, CLC. - Igor Abrikosov, Linköping University - LIU ( SWEDEN), National University of Science and Technology ‘MISIS'  
16:25 - 16:50 › Proposal of a new fully uncontracted multi-reference perturbation theory - Emmanuel Giner, Max Planck Institute for Solid State Research  
16:50 - 17:15 › Diagrammatic extensions of DMFT: Nonlocal interactions and nonlocal correlations - Erik van Loon, Institute for Moleculs and Materials, Radboud University, Nijmegen  
16:00 - 17:40 Nuclear, Particle and Fields Physics (105/44-54)  
16:00 - 16:25 › The new ATLAS Fast Calorimeter Simulation - Hasib Ahmed, University of Edinburgh  
16:25 - 16:50 › Statistical and systematic errors in the analysis of multiple datasets - Oleg Selyugin, JINR - Jean-Rene Cudell, Universite de Liege  
16:50 - 17:15 › Novel methods in track-based alignment to correct for time-dependent distortions of the ATLAS Inner Detector - Oscar Estrada, European Organization for Nuclear Research (CERN)  
17:15 - 17:40 › Primary Vertex Reconstruction with the ATLAS experiment - D. Casper  
16:00 - 16:50 Soft Matter and Biophysics (109/44-54)  
16:00 - 16:25 › Transition to network synchronization in neuronal cultures: modelling the activity bursts with an adaptive 2D dynamical model - Pascal Monceau, UMR CNRS 7057 and Université Paris-Diderot - Tanguy Fardet, UMR CNRS 7057 and Université Paris-Diderot - Samuel Bottani, UMR CNRS 7057 and Université Paris-Diderot - Stéphane Métens, UMR CNRS 7057 and Université Paris-Diderot  
16:25 - 16:50 › Viscoelastic hydrodynamic interactions and anomalous CM diffusion in polymer melts: influence of thermostat and simulation box - Hendrik Meyer, Institut Charles Sadron  
16:50 - 17:40 Fluid Dynamics: from Macro- to Nano- fluidics (109/44-54)  
16:50 - 17:15 › Numerical investigation on spreading behavior of falling droplet on inclined surface - Sukumar Pati, National Institute of Technology Silchar, India - Pitambar Randive, National Institute of Technology Silchar, India  
17:15 - 17:40 › Solidification of a simple liquid near wall in high-speedl lubrication flows - Shugo Yasuda, University of Hyogo - Ryo Ookawa, University of Hyogo  

Thursday, July 13, 2017

Time Event  
09:00 - 10:30 Materials Science (108/44-45)  
09:00 - 09:40 › Embedded many-body perturbation theories for organic optoelectronics - Xavier Blase, Institut Néel  
09:40 - 10:05 › Optical properties of single-molecule junctions - Herve Bulou, Institut de Physique et Chimie des Matériaux de Strasbourg  
10:05 - 10:30 › On screening in organic semi conductors - Saber Gueddida, Laboratoire Structures, Propriétés et Modélisation des Solides, CentraleSupélec Paris  
09:00 - 10:30 Geosciences and Climate Modeling (105/44-54)  
09:00 - 09:40 › Towards high-resolution climate models - Christoph Schär, Atmospheric and Climate Science, ETH Zurich  
09:40 - 10:05 › Bridging the Scale Hierarchy Problem in Biogeochemical Models - Francesco Paparella, New York University Abu Dhabi  
10:05 - 10:30 › Hierarchies of complexity in Earth System Modeling - V. Balaji, Princeton University  
09:00 - 10:30 Quantum Many Body Physics (107/44-54)  
09:00 - 09:40 › Gapless Spin-Liquid Ground State in the S=1/2 Kagome Antiferromagnet - Tao Xiang, Institute of Physics, Chinese Academy of Sciences, Collaborative Innovation Center of Quantum Matter  
09:40 - 10:05 › Quantum spin phases emerged from the interplay between strong correlation and spin-orbital coupling - Jianxin Li, Department of Physics, and National Laboratory of Solid State Microstructure, Nanjing University  
10:05 - 10:30 › Short-time quantum critical dynamics for Ising model in a transverse eld - Daoxin Yao, Sun Yat-Sen University - Yu-Rong Shu, Sun Yat-Sen University - Shuai Yin, Sun Yat-Sen University  
09:00 - 10:30 Fluid Dynamics: from Macro- to Nano- fluidics (109/44-54)  
09:00 - 09:40 › Hydration friction in nano-confinement: from bulk via interfacial to dry friction - Roland Netz, TU Berlin  
09:40 - 10:05 › Molecular dynamics simulations of diffusio-osmotic flow driven by chemical potential gradient - Hiroaki Yoshida, Laboratoire de Physique Statistique, Ecole Normale Supérieure, Paris, Toyota Central R&D Labs., Inc.  
10:05 - 10:30 › Multiscale modelling of ion adsorption and electrokinetic phenomena in porous oxides. - Jean-François Dufrêche, ICSM - Institut de Chimie Séparative de Marcoule  
09:00 - 10:30 Astrophysics (106/44-45)  
09:00 - 09:40 › Gravitational waves: The new frontier of astrophysics - Parameswaran Ajith, International Centre for Theoretical Sciences  
09:40 - 10:05 › Simulation of magnetorotational processes in core-collapsed supernovae - Sergey Moiseenko, Space Research Institute  
10:05 - 10:30 › Modeling of Fragmentation and Density Stratification in the Process of Shock Interaction with Molecular Clouds on Grids with Very Large Resolution - Boris Rybakin, Lomonosov Moscow State University - MSU (RUSSIA)  
10:30 - 10:50 Coffee break (Auditorium (Main conference center))  
11:00 - 12:15 Materials Science (108/44-45)  
11:00 - 11:25 › Buckled monolayer of GaAs under transverse electric field - Bhagwati Prasad, Applied Physics Department, Sardar Val labhbhai National Institute of Technology, Surat-395007, INDIA  
11:25 - 11:50 › Numerical analysis of Brillouin zone integration methods - Antoine Levitt, Centre d'Enseignement et de Recherche en Mathématiques et Calcul Scientifique, MATHERIALS  
11:00 - 12:15 Geosciences and Climate Modeling (105/44-54)  
11:00 - 11:25 › Importance of a fully anharmonic treatment of equilibrium isotope fractionation properties of dissolved ionic species as evidenced by Li+(aq) - Merlin Méheut, Géosciences Environnement Toulouse  
11:25 - 11:50 › Investigating the properties of silicate and carbonate melts at Earth's mantle conditions by molecular dynamics simulation - Nicolas Sator, Laboratoire de Physique Théorique de la Matière Condensée  
11:00 - 11:50 Fluid Dynamics: from Macro- to Nano- fluidics (109/44-54)  
11:00 - 11:25 › Transient hydrodynamic finite size effects in simulations under periodic boundary conditions - Adelchi Asta, Phenix  
11:25 - 11:50 › Design criteria for underwater superhydrophobicity: a rare-event molecular dynamics study. - Matteo Amabili, Departement of Mechanical and Aerospace Engineering, University of Rome ”La Sapienza”  
11:00 - 11:50 Energy Storage and Production (107/44-54)  
11:00 - 11:25 › Proton Mobility in Protic Ionic Liquids: New Results from Theoretical Calculations. - Enrico Bodo, Chemistry Department, University of Rome "La Sapienza"  
11:25 - 11:50 › Comparative Density Functional Theory - Density Functional Tight Binding study of fullerene derivatives: effects of addends, buckyball size, and crystallinity on properties affecting solar cell functionality - Sergei Manzhos, National University of Singapore  
11:00 - 12:15 Education (106/44-45)  
11:00 - 11:25 › Groundstates of liquid crystals with colloids: a project for undergraduate students. - Joan Adler, Technion - Israel Institute of Technology [Haifa]  
11:25 - 11:50 › Toolkit-based approach to undergraduate training in molecular dynamics - Richard Ocaya, University of the Free State  
11:50 - 12:15 › Time evolution of the unstable soliton solution for dust acoustic waves with trapped electrons - Sarun Phibanchon, Faculty of Education, Burapha Univeristy  
12:30 - 12:35 Closing (108/44-45)  
14:00 - 17:00 Spinoff on the history of simulations (Amphi Charpak)  
  
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