Matteo Turilli

Publications

• AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection
• RAPTOR: Ravenous Throughput Computing
• IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads
• Large-Scale Molecular Dynamics Simulations of Cellular Compartments
• A Comprehensive Perspective on Pilot-Job Systems
• PanDA and RADICAL-Pilot Integration: Enabling the Pilot Paradigm on HPC Resources
• Using Pilot Systems to Execute Many Task Workloads on Supercomputers
• Design and Performance Characterization of RADICAL-Pilot on Leadership-class Platforms
• Characterizing the performance of executing many-tasks on summit
• Adaptive Ensemble Biomolecular Applications at Scale
• High Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Non-Covalent Inhibitor
• AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics
• Scalable HPC and AI Infrastructure for COVID-19 Therapeutics
• Design and Performance Characterization of RADICAL-Pilot on Leadership-Class Platforms
• A new hourly dataset for photovoltaic energy production for the continental USA
• RADICAL-Pilot and PMIx/PRRTE: Executing Heterogeneous Workloads at Large Scale on Partitioned HPC Resources
• RADICAL approach to subverting RADICAL's second law of cyberinfrastructure
• RADICAL-Cybertools: Middleware Building Blocks for Scalable Science
• High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor
• Middleware Building Blocks for Workflow Systems
• Middleware Building Blocks for Workflow Systems
• DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding
• Workflow Design Analysis for High Resolution Satellite Image Analysis
• ExaWorks: Workflows for Exascale
• Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations
• AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
• Building Blocks for Workflow System Middleware
• Design and Performance Characterization of RADICAL-Pilot on Leadership-class Platforms
• Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations
• Characterizing the Performance of Executing Many-tasks on Summit
• DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding
• IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads
• RADICAL-Pilot and Parsl: Executing Heterogeneous Workflows on HPC Platforms
• Designing Workflow Systems Using Building Blocks
• The Ghost of Performance Reproducibility Past
• Evaluating Distributed Execution of Workloads
• Comparing workflow application designs for high resolution satellite image analysis
• Characterizing the Performance of Executing Many-tasks on Summit
• Deep Generative Model Driven Protein Folding Simulations
• Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers
• Scalable HPC & AI Infrastructure for COVID-19 Therapeutics
• Scalable HPC and AI Infrastructure for COVID-19 Therapeutics
• Asynchronous Execution of Heterogeneous Tasks in AI-coupled HPC Workflows
• RAPTOR: Ravenous Throughput Computing
• Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations
• Pipeline for Automating Compliance-based Elimination and Extension (PACE2): A Systematic Framework for High-throughput Biomolecular Material Simulation Workflows
• RADICAL-Pilot and Parsl: Executing Heterogeneous Workflows on HPC Platforms
• #COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
• Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting
• High-throughput binding affinity calculations at extreme scales
• Evaluating Distributed Execution of Workloads
• How to do philosophy informationally
• High-Throughput Computing on High-Performance Platforms: A Case Study
• Harnessing the Power of Many: Extensible Toolkit for Scalable Ensemble Applications
• Dynamics of control
• Integrating Abstractions to Enhance the Execution of Distributed Applications
• Harnessing the Power of Many: Extensible Toolkit for Scalable Ensemble Applications
• Synapse: Synthetic application profiler and emulator
• High-throughput Binding Affinity Calculations at Extreme Scales
• The ethics of information transparency
• Internet Neutrality: Ethical Issues in the Internet Environment
• The Case of Online Trust
• Dynamics of Control
• Topic 6: Grid, Cluster and Cloud Computing
• Turing’s Imitation Game: Still an Impossible Challenge for All Machines and Some Judges––An Evaluation of the 2008 Loebner Contest
• myTrustedCloud: Trusted Cloud Infrastructure for Security-critical Computation and Data Managment
• myTrustedCloud
• Ethical protocols design
• Flexible services for the support of research
• High-Throughput Computing on High-Performance Platforms: A Case Study
• Federating infrastructure as a service cloud computing systems to create a uniform e-infrastructure for research
• Integrating Abstractions to Enhance the Execution of Distributed Applications
• Towards General Distributed Resource Selection
• Using Pilot Systems to Execute Many Task Workloads on Supercomputers
• Towards Exascale Computing for High Energy Physics: The ATLAS Experience at ORIEL
• Topic 6: Grid, Cluster and Cloud Computing (Introduction)
• A Comprehensive Perspective on Pilot-Job Systems
• Enabling Trade-offs Between Accuracy and Computational Cost: Adaptive Algorithms to Reduce Time to Clinical Insight
• Design and Performance Characterization of RADICAL-Pilot on Titan
• Synapse: Synthetic Application Profiler and Emulator
• Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations
• Ethics and the practice of software design
• How to do philosophy informationally
• The philosophy of information a methodological point of view
• Application Skeleton: Generating Synthetic Applications for Infrastructure Research