PASC17 Program


Overview | By Date | By Event Type | By Scientific Area | By Room | Author Index

Monday, June 26th


9:00am-10:00am

Registration
Foyer
General

10:00am-10:05am

Welcome to the Conference
Room A
Boas Erez
General

10:05am-10:10am

Words from the Conference Chairs
Room A
Olaf Schenk; Horst Simon
General

10:10am-11:00am

Plenary Presentation
Room A
Olaf Schenk
IP01 Efforts on Scaling and Optimizing Climate and Weather Forecasting Programs on Sunway TaihuLight
Plenary presentation

11:00am-11:50am

Plenary Presentation
Room A
Dagmar Iber
IP02 Towards the Decoding of the Human Brain
Plenary presentation

11:50am-1:00pm

Lunch
Foyer
General

1:00pm-3:00pm

AP01 ACM PASC17 Papers Session I
Room A
Tim Robinson
Towards the Virtual Rheometer: High Performance Computing for the Red Blood Cell Microstructure
A Computational Framework to Assess the Influence of Changes in Vascular Geometry on Blood Flow
Increasing the Efficiency of Sparse Matrix-Matrix Multiplication with a 2.5D Algorithm and One-Sided MPI
Evaluation of a Directive-Based GPU Programming Approach for High-Order Unstructured Mesh Computational Fluid Dynamics
Paper
Computer Science & Applied Mathematics, Engineering, Life Sciences

MS01 Advances in Numerical Wave Propagation for Earthquakes, Cancer, Water Tanks and Oil (1/2)
Room C2-3
Tarje Nissen-Meyer
Advances in Numerical Wave Propagation for Earthquakes, Cancer, Water Tanks and Oil (2/2)
Seismic Wave Propagation on Emerging HPC Architectures
C++ Template Mixins in Salvus: A Platform for Multiscale Waveform Modeling and Inversion
Immersive Wave Experimentation: Extreme Low-Latency and HPC Requirements Enabled by FPGA Technology
Petascale Computation of Multi-Physics Seismic Simulations - and Beyond
Minisymposium
Solid Earth Dynamics

MS02 Exascale Solver for Application-Driven Science (1/2): Domain Decomposition
Villa Ciani, Room 205
Christian Engwer; Markus Huber; Barbara Wohlmuth
Exascale Solver for Application-Driven Science (1/2): Domain Decomposition
Parallel Nonlinear Domain Decomposition in Multiscale Problems
FETI Based Solvers for Exascale Computations in Mechanics
Recent Advances in Multilevel Domain Decomposition: Large Scales, Heterogeneous Problems, and Unfitted Finite Elements
GPU-Accelerated Matrix-Free Methods in Geophysics: Case Studies in pTatin3d and StagYY
Minisymposium
Computer Science & Applied Mathematics

MS03 From Linear Algebra to High-Performance Code
Room C1
Paolo Bientinesi
From Linear Algebra to High-Performance Code
LAMP: The Linear Algebra Mapping Problem
Hydra: From Linear Equation to Parallel Heterogeneous Code
Armadillo: C++ Template Metaprogramming for Compile-Time Optimization of Linear Algebra
Design Choices for Numerical Linear Algebra in a Compiled High-Level Language
Minisymposium
Computer Science & Applied Mathematics

MS04 High-Performance Computing for Modeling Transport Properties in Thermoelectric Materials
Room B3
Maximilian Amsler; Stefan Goedecker
High-Performance Computing for Modeling Transport Properties in Thermoelectric Materials
First-Principles Studies of Strongly Anharmonic Crystalline Solids
Thermal Transport from First-Principles: Phonons, Relaxons, and Transport Waves
Ab Initio Calculations of the Lattice Thermal Conductivity and the Discovery of New Thermoelectric Materials
Systematic Data Collection from First-Principles Lattice Thermal Conductivity Calculation and its Analysis
Minisymposium
Chemistry & Materials, Physics

MS05 Higher Order Discretizations in Large Eddy Simulation of High Reynolds Number Turbulent Flow...
Room E
Juan Alonso; Ramesh Balakrishnan
Higher Order Discretizations in Large Eddy Simulation of High Reynolds Number Turbulent Flow in Engineering Applications
Numerical Simulations and Robust Predictions of Cloud Cavitation Collapse
Scalable Implicit Flow Solver for Realistic Wing Simulations with Flow Control
Developing Discontinuous Galerkin Methods for Large Eddy Simulation of Multistage Turbomachinery
Scale-Resolving Simulations with SU2 for Wind Engineering Applications
Minisymposium
Engineering

MS06 Innovation in Scientific Applications Enabled by Fine Grained Manycore Architectures and Rec...
Room B2
Marie-Christine Sawley
Innovation in Scientific Applications Enabled by Fine Grained Manycore Architectures and Reconfigurable Computing
The Fast Multipole Method and Point Dipole Moment Polarizable Force Fields
Grid: A Data Parallel Structured Cartesian Framework for Lattice QCD Calculations
Modernizing Code for the Intel "Knights Landing" Processor: Real World Tales from the IXPUG Trenches
FPGA Acceleration for High-Throughput Data Processing in High-Energy Physics Experiments
Minisymposium
Computer Science & Applied Mathematics, Physics

MS07 Scientific and High Performance Computing for Applied Life Sciences and Precision Medicine
Villa Ciani, Room 005
Thomas Ashby; Tom Vander Aa
Scientific and High Performance Computing for Applied Life Sciences and Precision Medicine
Federated Analysis of Genomes for Personalized Healthcare
HPC for Inferring Causal Biological Networks
Practical Experience with Software for Next-Generation Sequence Analyses in HPC Environment
Machine Learning for Chemogenomics on HPC: Progress in the ExCAPE Project
Minisymposium
Emerging Domains in HPC, Life Sciences

3:00pm-3:30pm

Coffee Break
Foyer
General

3:30pm-5:30pm

AP02 ACM PASC17 Papers Session II
Room A
Jack Wells
Asynchronous Task-Based Parallelization of Algebraic Multigrid
Scheduling Finite Difference Approximations for DAG-Modeled Large Scale Applications
Pareto Optimal Swimmers
Paper
Computer Science & Applied Mathematics, Life Sciences

MS08 Advances in Numerical Wave Propagation for Earthquakes, Cancer, Water Tanks and Oil (2/2)
Room C2-3
Tarje Nissen-Meyer
Advances in Numerical Wave Propagation for Earthquakes, Cancer, Water Tanks and Oil (1/2)
Waveform Tomography for Breast Cancer Detection with Ultrasound
Scalable Wave Propagation in Multiscale Media Based on a Pseudospectral/Spectral-Element Method with Particle Relabeling
A Spectral Finite Element Discretisation for Elastodynamics on Unstructured Triangle and Tetrahedral Meshes
GeoPC: Composable Solvers for Geophysics on Modern Architectures
Minisymposium
Solid Earth Dynamics

MS09 Computational Models of Tissue Dynamics
Villa Ciani, Room 005
Dagmar Iber
Computational Models of Tissue Dynamics
Phase-Field Based Simulations of Embryonic Branching Morphogenesis
Virtual Erythrocyte: Constitutive Relations and Fluid­cell Interactions
Cell Monolayer Mechanics and Acomys Spine Morphogenesis
LBIBCell: A Cell-Based Simulation Framework to Explore the Impact of Cell Mechanics on Tissue Organisation and Growth
Minisymposium
Computer Science & Applied Mathematics, Life Sciences

MS10 Enabling Exascale Fluid Dynamics Simulations
Room B2
Niclas Jansson; Erwin Laure
Enabling Exascale Fluid Dynamics Simulations
Towards Adaptive Meshes for the Spectral Element Code Nek5000
Delivering Performance Through HPC
Multilevel Diskless Checksum Checkpoints for Automated Application Recovery
Targeting the Spectral/hp Element Method for Exascale Platforms
Minisymposium
Computer Science & Applied Mathematics, Engineering

MS11 Energy-Efficient and Scalable Model Components for Weather and Climate Prediction
Room B1
Peter Bauer
Energy-Efficient and Scalable Model Components for Weather and Climate Prediction
Weather and Climate Dwarfs: Definition, Code Design and Performance
The MPDATA Advection Dwarf of the High-Resolution Regional COSMO-EULAG model
Multigrid Preconditioning of Elliptic Operators in High-Performance All-Scale Atmospheric Models
Parallel-In-Time Integration with PFASST: The Hyperbolic Case
Minisymposium
Climate & Weather

MS12 Fast Numerical Linear Algebra Methods in Isogeometric Analysis
Villa Ciani, Room 205
Stefano Serra Capizzano
Fast Numerical Linear Algebra Methods in Isogeometric Analysis
Symbol Approach in IgA Matrix Analysis: from the Spectral Analysis to the Design of Fast Solvers
IGA for MagnetoHydroDynamics (MHD) Problems
Optimal and Robust Multigrid for Isogeometric Analysis
Spectral Analysis of the 2D Curl-Curl (Stabilized) Operator with Applications to the Related Iterative Solutions
Minisymposium
Computer Science & Applied Mathematics

MS13 Kinetic Simulations on HPC Platforms for Plasma Physics Applications (1/3): Algorithms
Room E
Stephan Brunner; Katharina Kormann
Kinetic Simulations on HPC Platforms for Plasma Physics Applications (3/3): Parallelization and New Hardware
A Conservative Exponential Integrator for the Drift-Kinetic Model
Time Discretization of a Geometric Electromagnetic Particle-In-Cell Method
The Particle-In-Fourier (PIF) Approach Applied to Gyrokinetic Simulations and its Implementation on GPUs
InKS, a Programming Model to Decouple Semantics from Optimizations in HPC and its Application to the 6D Semi-Lagrangian Advection Use-Case
Minisymposium
Computer Science & Applied Mathematics, Physics

MS14 Machine Learning
Room B3
Michele Ceriotti; Anatole von Lilienfeld
Machine Learning
Big Data of Materials Science: Critical Role of the Descriptor
Discerning Causalities in Protein Function using “Inverse” Machine Learning
Mapping Molecular Landscapes, from the Gas Phase to Crystals
Minisymposium
Chemistry & Materials, Emerging Domains in HPC

MS15 Parallel Numerical Linear Algebra
Room C1
Matthias Bolten; Thomas Huckle
Parallel Numerical Linear Algebra
Improving Scalability and Efficiency of Multigrid Methods by Block-Smoothers
Iterative Parallel Methods for Deriving ILU-type Preconditioners
Efficient Reduction of Generalized hpd Eigenproblems
Efficient Transformation of the General Eigenproblem with Symmetric Banded Matrices to a Banded Standard Eigenproblem
Minisymposium
Computer Science & Applied Mathematics

5:30pm-6:00pm

Coffee Break
Foyer
General

6:00pm-7:00pm

Panel Discussion
Room A
John Shalf
PNL01 Beyond Moore's Law
Directing Matter: Toward Atomic-Scale 3D Nanofabrication for Beyond Moore’s Law Devices
Opportunities and Challenges in the Area of Quantum Computing and Quantum Simulation
Neuromorphic Computing – Achievements, Opportunities and Plans
Panel discussion, Panel presentation

7:30pm-10:00pm

Social evening event (separate registration required)
Ristorante Ciani
General

Tuesday, June 27th


9:00am-9:50am

Plenary Presentation
Room A
Thomas Quinn
IP03 Unlocking the Mysteries of the Universe with Supercomputers
Plenary presentation

9:50am-10:30am

Flash Poster Session
Room A
Maria Grazia Giuffreda
Flash Poster Session
General

10:30am-11:00am

Coffee Break
General

11:00am-1:00pm

AP03 ACM PASC17 Papers Session III
Room A
Daniel Jacobson
ABCpy: A User-Friendly, Extensible, and Parallel Library for Approximate Bayesian Computation
Parallelized Dimensional Decomposition for Large-Scale Dynamic Stochastic Economic Models
A Histogram-Free Multicanonical Monte Carlo Algorithm for the Basis Expansion of Density of States
Paper
Computer Science & Applied Mathematics, Emerging Domains in HPC, Physics

MS16 Computing Bulks of Inner Eigenpairs of Large Sparse Matrices: From Applications and Algorith...
Room B2
Achim Basermann; Jonas Thies; Gerhard Wellein
Interior Eigenvalue and Eigenvalue Density Computations in Quantum Physics Applications
Nonlinear Sakurai-Sugiura Method for Electronic Transport Calculation on KNL Cluster
Extremely Large Quantum Material Simulations with Novel Linear Algebraic Algorithms and Massively Parallel Supercomputers
Rational and Polynomial Filtering for Eigenvalue Problems and the EVSL Project
Minisymposium
Computer Science & Applied Mathematics, Physics

MS17 Exascale Solver for Application-Driven Science (2/2): Multigrid
Villa Ciani, Room 205
Markus Huber; Ulrich Rüde
Exascale Solver for Application-Driven Science (2/2): Multigrid
Novel Applications of Multigrid Type Methods in Uintah Approaches to Exascale
Linear Solvers at Scale: Numerical Scalability and Resiliency Inside!
Fast and Scalable Multigrid Solver Employing Agglomeration Techniques
Multigrid Preconditioners for High Order Finite Element Discretisations
Minisymposium
Computer Science & Applied Mathematics

MS18 Kinetic Simulations on HPC Platforms for Plasma Physics Applications (2/3): Physics Producti...
Room E
Stephan Brunner; Katharina Kormann
Kinetic Simulations on HPC Platforms for Plasma Physics Applications (1/3): Algorithms
Computational Challenges Towards Strong Scaling Gyrokinetic Eulerian Codes at Exa-scale
Status of the Exascale Computing Project on High-Fidelity Whole Device Modeling of Magnetically Confined Fusion Plasma
Gyrokinetic Global Electromagnetic Simulations with ORB5 and GENE.
Beyond Electrodynamics with PIConGPU: Performance Portable, Open Multi-Physics HPC Simulations for Laser-Plasma Experiments at the European XFEL
Minisymposium
Computer Science & Applied Mathematics, Physics

MS19 Materials for Energy
Room C2-3
Marta Bon; Michele Parrinello
Materials for Energy
Accelerating Rare Events in Electrochemistry
Computational Studies of Perovskite Solar Cell Materials
Nature-Inspired Water Splitting for Sustainable Hydrogen Production
Ab Initio Molecular Dynamics of Liquids: From CO2 Conversion to Osmotic Energy Conversion
Minisymposium
Chemistry & Materials, Computer Science & Applied Mathematics

MS20 Particle-Based Methods for Simulations in Life Sciences, Fluids and Materials (1/2)
Villa Ciani, Room 005
Petros Koumoutsakos; Igor Pivkin
Particle-Based Methods for Simulations in Life Sciences, Fluids and Materials (1/2)
An Unstructured-Mesh Generator Based on SPH Analogy
Smoothed Dissipative Particle Dynamics with Angular Momentum Conservation
Hybrid Simulation of Turbulent Wake Vortices with Rain
Coarse-Grained Protein Model for Dissipative Particle Dynamics
Minisymposium
Chemistry & Materials, Computer Science & Applied Mathematics, Life Sciences

MS21 Programming Models and Abstractions for Weather and Climate Models: Today and in the Future
Room B1
Peter Bauer; Oliver Fuhrer
Programming Models and Abstractions for Weather and Climate Models: Today and in the Future
The CLAW Compiler: Abstractions for Weather and Climate Models
Performance Portable Acceleration of Weather and Climate Dwarfs
Performance Portable Dynamical Cores on Irregular Grids Using Domain Specific Languages
LFRic and PSyclone: A Domain Specific Language Approach to Atmospheric Models for Exascale
Minisymposium
Climate & Weather

MS22 Quantum Monte Carlo and Many-Body Theory
Room B3
Anouar Benali
Quantum Monte Carlo and Many-Body Theory
Quantum Machine Learning
Stochastic Multi-Reference Perturbation Theory
High-Performance Computing of Accurate Electronic Structures from Model Space Quantum Monte Carlo
Preparing Quantum Monte Carlo for the Exascale
New Algorithms in QMCPACK; Science Applications in the Path to Exascale
Minisymposium
Chemistry & Materials

MS23 Virtual Patients, Virtual Doctors, Virtual Hospitals
Room C1
Rainald Ehrig; Susanna Röblitz
Virtual Patients, Virtual Doctors, Virtual Hospitals
HPC within In Silico Clinical Trials: PAEON experience
Building Clinical Decision Support Systems (CDSS) in RoR: Lessons from the PAEON Project
A Clinical Decision Support System for Hormonal Treatments in Reproductive Endocrinology
Integrated Physiology in Modelica: HumMod and Physiomodel
Minisymposium
Emerging Domains in HPC

1:00pm-2:00pm

Lunch
Foyer
General

2:00pm-4:00pm

AP04 ACM PASC17 Papers Session IV
Room A
Olaf Schenk
Fast and Scalable Low-Order Implicit Unstructured Finite-Element Solver for Earth's Crust Deformation Problem
Load Balancing and Patch-Based Parallel Adaptive Mesh Refinement for Tsunami Simulation on Heterogeneous Platforms Using Xeon Phi Coprocessors
A Scalable Object Store for Meteorological and Climate Data
Paper
Climate & Weather, Computer Science & Applied Mathematics, Solid Earth Dynamics

MS24 Atomistic Simulations of Interfaces; Complex but Deciding
Room B1
Yoshitaka Tateyama
Atomistic Simulations of Interfaces; Complex but Deciding
Searching Stable Interface Structures with Bayesian Optimization
Combining Ab Initio Calculations with Electrostatic Models to Describe Defects at Surfaces at Realistic Temperature, Pressure, and Doping Conditions
First-Principles Simulation of Electrochemical Reactions at Solid-Liquid Interface
Challenges in Electronic Structure Modeling of Battery Interfaces
Minisymposium
Chemistry & Materials

MS25 Computational Challenges in General-Relativistic Matter Simulations
Room B3
Bernd Bruegmann; Luciano Rezzolla
Computational Challenges in General-Relativistic Matter Simulations
Simulating Generic Binary Neutron Star Mergers
Entropy-Limited Hydrodynamics: A Novel Approach to Relativistic Hydrodynamics
Multi-Messenger Signals from Gravitational Wave Sources
Numerical Simulations of the Magnetic Field Amplification in Neutron Stars
Minisymposium
Physics

MS26 Computing Bulks of Inner Eigenpairs of Large Sparse Matrices: From Applications and Algorith...
Room B2
Achim Basermann; Jonas Thies; Gerhard Wellein
Computing Bulks of Inner Eigenpairs of Large Sparse Matrices: From Applications and Algorithms to Performance and Software Engineering (1/2)
Parallel Preconditioned Iterative Solvers on Manycore Architectures
Batched Factorization and Inversion Routines for Block-Jacobi Preconditioning on GPUs
Software and Performance Engineering for Iterative Eigensolvers
An Overview of the Trilinos Project Exascale Strategy: From Algorithms to Software Products
Minisymposium
Computer Science & Applied Mathematics, Physics

MS27 High Performance Computing in Cardiovascular Mechanics
Room C2-3
Simone Deparis; Axel Klawonn; Oliver Rheinbach
High Performance Computing in Cardiovascular Mechanics
Domain-Decomposition-Based Fluid Structure Interaction Methods using Nonlinear Anisotropic Arterial Wall Models
A Multiphysics Approach for Early Atherosclerosis Progression
An Integrated Electro-Mechano-Fluid Model for Cardiac Simulations
Scalable Domain Decomposition Solvers for Cardiac Electro-Mechanical Dynamics
Minisymposium
Emerging Domains in HPC, Life Sciences

MS28 Kinetic Simulations on HPC Platforms for Plasma Physics Applications (3/3): Parallelization...
Room E
Stephan Brunner; Katharina Kormann; Laurent Villard
Kinetic Simulations on HPC Platforms for Plasma Physics Applications (2/3): Physics Production Codes
Scalable and Fault-Tolerant Simulations with GENE and the Sparse Grid Combination Technique
Two-Species Semi-Lagrangian Simulations for Solving the Vlasov-Poisson System in 2d2v
Hybrid OpenMP/MPI Parallelization of the Charge Deposition Step in the Global Gyrokinetic Particle-In-Cell Code ORB5
Prediction of the Node to Node Communication Costs of a New Gyrokinetic Code with Toroidal Domain
Minisymposium
Computer Science & Applied Mathematics, Physics

MS29 Mathematical Methods in Molecular Simulation for Computational Drug Design
Room C1
Franziska Erlekam
Mathematical Methods in Molecular Simulation for Computational Drug Design
Kinetics of Multivalent Bindings
Generalized Perron Cluster Analysis for Non-Equilibrium Steady State Systems
Markov State Models with Reweighting
Applications of Nonnegative Matrix Factorization in Spectroscopy
Minisymposium
Computer Science & Applied Mathematics, Life Sciences

MS30 Particle-Based Methods for Simulations in Life Sciences, Fluids and Materials (2/2)
Villa Ciani, Room 005
Petros Koumoutsakos; Igor Pivkin
Particle-Based Methods for Simulations in Life Sciences, Fluids and Materials (2/2)
Bayesian Uncertainty Quantification and Propagation for Dissipative Particle Dynamics
Combined Computational and Experimental Study of Cell Deformation in Microfluidic Devices
Adaptive Resolution Simulations Coupling Atomistic to Supramolecular Water Models
A Hybrid Smoothed Dissipative Particle Dynamics and Immersed Boundary Method (SDPD-IBM) for Simulation of Red Blood Cells (RBCs) in Flows
Minisymposium
Chemistry & Materials, Computer Science & Applied Mathematics, Life Sciences

MS31 Recent Advances in Resilience for Extreme Scale Computing
Villa Ciani, Room 205
Bert Debusschere; Karla Morris; Francesco Rizzi
Recent Advances in Resilience for Extreme Scale Computing
Resilience in Extreme-Scale Iterative Linear Solvers
Scaling and Energy Analysis for a Resilient ULFM-Based PDE Solver
Dynamic and Low Overhead Analysis of Memory Vulnerability
Inexact Computing and the Interface with Resilience
Minisymposium
Computer Science & Applied Mathematics, Engineering

4:00pm-4:30pm

Coffee Break
Foyer
General

4:30pm-5:30pm

Panel Discussion
Room A
Jack Wells
PNL02 Sustainable Software Development and Publication Practices in the Computational Sciences
Panel discussion, Panel presentation

6:00pm-6:50pm

Public Lecture
Room A
Rolf Krause
IP04 The Times They Are a-Changin' - Computational Discovery in the 21st Century
Public lecture

7:00pm-9:00pm

Poster Session & Reception
Foyer
CHE-04 Mapping and Classifying Molecules from a High-Throughput Structural Database
CLI-03 ESCAPE: Accelerating Extreme-Scale Numerical Weather Prediction
CLI-04 GridTools: A C++ Library for Computations on Grids
CLI-05 High-Performance C++ in Weather Prediction: Challenges, Achievements and Future Models
CLI-06 Large Scale Climate Simulations with COSMO
CLI-07 Reproducible Climate and Weather Simulations: an Application to the COSMO Model
CLI-08 Use of Hybrid Supercomputing Architectures for Numerical Weather Prediction Models
EMD-01 Scalable MCMC Algorithm for the Accurate Estimation of Exponential Random Graph Models
ENG-01 A Multiscale Model for the Simulation of Sediment Impact Erosion of Metallic Targets
ENG-02 GPU-SPHEROS: A GPU-Accelerated Versatile Solver Based on the Finite Volume Particle Method
PHY-01 Formation of Solid H2 in the ISM
PHY-02 Non-Abelian Fractional Quantum Hall States and Topological Quantum Computation
PHY-03 Numerical Method Optimization in Particle-In-Cell Gyrokinetic Plasma Code ORB5
PHY-04 The Linear Polarization of the Solar Continuum Radiation from Numerical Simulations of the Solar Atmosphere
General

Poster Session & Reception
Foyer
CHE-02 DBCSR: A Sparse Matrix Multiplication Library for Electronic Structure Codes
CHE-01 A Molecular Dynamics Study of the Thermodynamics of Attachment of Saccharides to Halloysite
CHE-06 Solvent-Aware Interfaces in Continuum Solvation
CHE-05 Soft-Sphere Continuum Solvation in Electronic Structure Calculations
CHE-03 First-Principles Study on Interfaces between Sulfide Electrolyte and Oxide Cathode in All-Solid-State Battery
Poster
Chemistry & Materials

Poster Session & Reception
Foyer
CSM-04 Boundary Element Quadrature Schemes for Multi- and Many-Core Architectures
CSM-15 Shifter: Experiences with High-Performance Containers
CSM-12 Parallel Immersed Boundary Simulations of Worm-Like Swimmers in the Inertial Flow Regime
CSM-10 Open Science with OpenPMD
CSM-02 A Resilient ULFM-MPI-Based PDE Solver: Performance Scaling and Energy Analysis
CSM-11 Efficient and Portable MPI Support for Approximate Bayesian Computation
CSM-01 A Novel and Efficient Compressed Algorithm for Non-Negative Matrix Factorization (NMF)
CSM-06 Efficient On-The-Fly Operator Assembly for HPC Finite Element codes
CSM-16 Solving Large Scale Quadratic Programming Problems with PERMON
CSM-09 Model-Driven Choice of PDE Numerical Solvers
CSM-07 Flexible and High-Performance Stencil Codes with GridTools4Py
CSM-18 Whole Program Generation for Complex Fluid Flow Solvers
CSM-03 AV-Flow: A Software Library for Fluid Structure Interaction Problems Based on Variational Transfer Immersed Boundary Method
CSM-14 Pruning Highway Networks
CSM-13 Parallelization of Graph Partitioning using Metis and OpenMP
CSM-17 Load-Balanced Partition Refinement with the Graph p-Laplacian
CSM-08 Fluid Structure Interaction Simulations of the Human Heart
CSM-05 Energy Efficient High Performance Computing due to Application Dynamism
Poster
Computer Science & Applied Mathematics

Poster Session & Reception
Foyer
LS-04 Flow Stability and Transition Past an Aortic Valve Using a Hybrid Multicore/Manycore Massively Parallel Navier-Stokes Solver
LS-03 Elucidating the Effect of Polymer Flexibility, Molecular Geometry, and Charge Neutralization on siRNA-Polycation Complexes Free Energy Landscape: A Computational Study
LS-05 Focused Diversification of Biomolecules for Drug Discovery by Progress Index-Guided Sampling
LS-02 CampaR1: An R Package for Extracting Metastable States from Time Series Data
LS-06 Funnel-Metadynamics 2.0: Graphical User Interface and Implementation in Plumed 2
LS-01 Aortic Valve Hemodynamics Using Variational Transfer Immersed Boundary Method
Poster
Life Sciences

Wednesday, June 28th


9:00am-11:00am

MS32 Advanced Computational Methods for Fluid-Structure Interaction
Villa Ciani, Room 005
Amanda Randles
Advanced Computational Methods for Fluid-Structure Interaction
Blood Rheology in Complex Geometries
Numerical Simulation of a Compound Capsule in a Constricted Microchannel
Cell-Based Blood Flow Simulations, Validations, Rheology, and Transport Phenomena
Minisymposium
Emerging Domains in HPC, Life Sciences

MS33 Building a Sustainable Computing and Data Management Infrastructure for Research in Precisio...
Villa Ciani, Room 205
Bernd Rinn; Thomas Wüst
Building a Sustainable Computing and Data Management Infrastructure for Research in Precision Medicine
Precision Medicine: Paving the way for Responsible Data Access and Governance
Leonhard Med: ETH's Answer to the IT Challenges of Personalized Health Research
The Swiss Personalized Health Network Data Coordination Center - Enabling Research in Personalized Health by Establishing Interoperability of Health-Related Information
From Big Genomic Data to Molecular Insights
Minisymposium
Computer Science & Applied Mathematics, Emerging Domains in HPC

MS34 HPC for Large Optimization Problems From Data Analysis
Room B1
Illia Horenko; William Sawyer
HPC for Large Optimization Problems From Data Analysis
High Performance Implementation of FEM-H1 Approach to Clustering and Denoising of Multidimensional Time Series
The Quiet Atmosphere: Data-Driven Ideas for Bridging the Gap Between Observed and Modeled Nocturnal Turbulence.
On Memory, Dimension, and Atmospheric Teleconnections
Deep Learning Classification of Radio Astronomy Images
Minisymposium
Computer Science & Applied Mathematics, Emerging Domains in HPC

MS35 High-Throughput Computing on Emerging HPC Platforms for Particle Detectors at The Large Hadr...
Room B2
Omar Awile; Michael David Sokoloff
High-Throughput Computing on Emerging HPC Platforms for Particle Detectors at The Large Hadron Collider (2/2): Simulation and Data Analytics
Computing at CERN: Challenges and Opportunities
HEP Realtime Analysis: Scaling Beyond Embarrassing Parallel
High Performance Computing Meets High Energy Physics
Heterogeneous Event Selection at the CMS Experiment
Minisymposium
Physics

MS36 In-Silico Biochemistry: From Quantum Mechanics to Coarse-Grained High-Performance Computing...
Room E
Daniele Di Marino; Vittorio Limongelli
In-Silico Biochemistry: From Quantum Mechanics to Coarse-Grained High-Performance Computing Simulations
Computational Challenges in Photobiology and Ultrafast Spectroscopy
High-Resolution, Integrative Modeling of Biomolecular Complexes From Fuzzy Data
A Comprehensive Description of the Homo and Heterodimerization Mechanism of the Chemokine Receptors CCR5 and CXCR4
Enhanced Sampling Approaches in Molecular Dynamics Simulations
Minisymposium
Chemistry & Materials, Life Sciences

MS37 Linear Algebra and High Performance Computing for Computational Nanoelectronics
Room C1
Matthias Bollhöfer
Linear Algebra and High Performance Computing for Computational Nanoelectronics
Numerical Linear Algebra Techniques for Accelerating Electronic Structure Calculations
Scalable Parallel Sparse Matrix Computations
Densities of States: Algorithms and Applications in Linear Algebra
Scalable Algorithms for Real-Space and Real-Time First-Principle Calculations
Minisymposium
Computer Science & Applied Mathematics, Engineering

MS38 Modeling and Simulations of Active Matter
Room C2-3
Alexander Alexeev
Modeling and Simulations of Active Matter
Collective Motion of Gel-Actuated Micro-Swimmers
Equilibrium Physics Breakdown Reveals the Active Nature of Red Blood Cell Flickering
Prediction of Salt-Responsive Behavior of Polyelectrolyte Micelles and Gels
Plastic Attraction and Other Strange Phenomena in Active Matter
Minisymposium
Engineering, Physics

MS39 Numerical Methods for Astrophysical Disks Simulations
Room A
Lucio Mayer; Clement Surville; Romain Teyssier
Numerical Methods for Astrophysical Disks Simulations
The Code RoSSBi: A Multi-Fluid Method for Dust Dynamics in Protoplanetary Disks
A Restrictive Refinement Strategy for PPM Applied to Disk Simulations
Hydro-Dynamic Stability of Radially and Vertically Stratified Disks
High Order Numerical Schemes for Computational Fluid Dynamics in Astrophysics
Minisymposium
Physics

MS40 Recent Advances in Fault-Tolerant, Asynchronous and Communication-Avoiding Algorithms (1/2)
Room B3
Dominik Goeddeke; Laura Grigori; Michael Heroux
Recent Advances in Fault-Tolerant, Asynchronous and Communication-Avoiding Algorithms (1/2)
Resilient Constructs for Parallel Applications
Fault Detection and Mitigation for Multigrid Solvers
Urgency and Progress in Application Level Fault Tolerance
Resilience Enhancement Using Discrete A Priori Bounds for the Detection of Faulty PDE Solutions
Minisymposium
Computer Science & Applied Mathematics

11:00am-11:30am

Coffee Break
Foyer
General

11:30am-12:30pm

CSCS Update
Room A
General

12:30pm-1:30pm

Lunch
Foyer
General

1:30pm-3:30pm

First FoMICS Student Prize in Computational Science and Engineering
Room C2-3
Rolf Krause
First FoMICS Student Prize in Computational Science and Engineering
Minisymposium

MS41 Advanced Computational Methods for Studying Human Hemodynamics
Villa Ciani, Room 005
Amanda Randles
Advanced Computational Methods for Studying Human Hemodynamics
Measuring the Ankle-Brachial Index with Massively Parallel Simulations
Performance Analysis of Parallel Lattice Boltzmann Methods on Complex Domains
Numerical Lab-On-a-Chip: High-Throughput Simulation and Optimization of Microfluidic Devices
Fully Coupled Fluid-Electro-Mechanical Cardiac Problems
Minisymposium
Emerging Domains in HPC, Life Sciences

MS42 Earth System Modeling: HPC Bringing Together Weather and Climate Prediction
Room A
Joachim Biercamp
Earth System Modeling: HPC Bringing Together Weather and Climate Prediction
ESiWACE: The Center of Excellence in Simulation of Climate and Weather in Europe
High Resolution Simulations with the Weather Forecast Model ICON: Teaming Up Modeling and Measuring Communities in Climate and Weather Research
IS-ENES Coupling Technology Benchmarks
How to Escape from the Data Avalanche of High-Resolution Climate Models?
Minisymposium
Climate & Weather

MS43 High-Throughput Computing on Emerging HPC Platforms for Particle Detectors at The Large Hadr...
Room B2
Omar Awile; Sergei Gleyzer
High-Throughput Computing on Emerging HPC Platforms for Particle Detectors at The Large Hadron Collider (1/2): Online Computing
GeantV: Designing the Future of Particle Transport Simulation for HEP
Stitched the Multi-Threaded CMS Framework: Strategy and Performance on HPC Platforms
Minisymposium
Physics

MS44 Modeling, Computational Methods and Applications of Fluorescence-Mediated Tomography
Villa Ciani, Room 205
Martin Frank
Modeling, Computational Methods and Applications of Fluorescence-Mediated Tomography
Fluorescence-Mediated Tomography in Pharmacology Research
Improving Resolution and Sensitivity of Fluorescence-Mediated Tomography using GPU-Accelerated Image Reconstruction
Accelerated Image Reconstruction Algorithms in Fluorescence Optical Tomography
On Inexact Geometry Treatment in Fluorescence Molecular Tomography
Minisymposium
Emerging Domains in HPC, Life Sciences

MS45 Recent Advances in Fault-Tolerant, Asynchronous and Communication-Avoiding Algorithms (2/2)
Room B3
Dominik Goeddeke; Laura Grigori; Michael Heroux
Recent Advances in Fault-Tolerant, Asynchronous and Communication-Avoiding Algorithms (2/2)
Fault-Tolerant Parallel-In-Time Integration with PFASST
Reducing Data Movement by Exploiting Computation Dependencies
Fault Tolerance with High Performance for Matrix Multiplication
Enlarged Krylov Subspace Methods for Reducing Communication
Minisymposium
Computer Science & Applied Mathematics

MS46 Still Toward First-Principles Simulations on Exascale Supercomputers
Room B1
Yoshitaka Tateyama
Still Toward First-Principles Simulations on Exascale Supercomputers
Large Scale Electronic Structure Calculations with CP2K
NTChem: A High-performance Software Package for Quantum Chemistry Simulation
Large-Scale Static and Dynamic Density-Functional Calculations in a Real-Space Scheme: New Physical Properties of Two-Dimensional Systems
BigDFT: Accurate and Efficient Density Functional Calculations on Peta Scale Computers
Minisymposium
Chemistry & Materials

MS47 Updating the Lagrangian-Eulerian Debate
Room E
Paul R. Woodward
Updating the Lagrangian-Eulerian Debate
Using Constrained, High-Order Subgrid Structure to Address Interaction of Turbulence with Unstable Multi-Fluid Interfaces in Uniform-Grid Eulerian Simulations
Smooth Particle Hydrodynamics: Methods and Astrophysical Applications
Arbitrary Lagrangian-Eulerian Hydrodynamics: Recent Development and Test Problems
Minisymposium
Computer Science & Applied Mathematics, Physics

3:30pm-4:00pm

Coffee Break
Foyer
General

4:00pm-4:50pm

Plenary Presentation
Room A
Thomas Schulthess
IP05 Towards Quantum High Performance Computing
Plenary presentation

4:50pm-5:00pm

Award Ceremony
Room A
General

5:00pm-5:10pm

Closing Session
Room A
General

Created 2017-11-16 9:35