Matteo Turilli

research

∙ 07/15/2023

PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs

It is generally desirable for high-performance computing (HPC) applicati...

0 Mihael Hategan-Marandiuc, et al. ∙

research

∙ 03/31/2023

Workflows Community Summit 2022: A Roadmap Revolution

Scientific workflows have become integral tools in broad scientific comp...

0 Rafael Ferreira da Silva, et al. ∙

research

∙ 08/31/2022

RAPTOR: Ravenous Throughput Computing

We describe the design, implementation and performance of the RADICAL-Pi...

0 Andre Merzky, et al. ∙

research

∙ 08/27/2022

The Ghost of Performance Reproducibility Past

The importance of ensemble computing is well established. However, execu...

0 Srinivasan Ramesh, et al. ∙

research

∙ 08/24/2022

AI-coupled HPC Workflows

Increasingly, scientific discovery requires sophisticated and scalable w...

0 Shantenu Jha, et al. ∙

research

∙ 08/23/2022

Asynchronous Execution of Heterogeneous Tasks in AI-coupled HPC Workflows

Heterogeneous scientific workflows consist of numerous types of tasks an...

0 Vincent R. Pascuzzi, et al. ∙

research

∙ 01/10/2022

A Scalable Solution for Running Ensemble Simulations for Photovoltaic Energy

This chapter proposes and provides an in-depth discussion of a scalable ...

0 Weiming Hu, et al. ∙

research

∙ 08/30/2021

ExaWorks: Workflows for Exascale

Exascale computers will offer transformative capabilities to combine dat...

0 Aymen Al Saadi, et al. ∙

research

∙ 06/13/2021

Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening

We propose a benchmark to study surrogate model accuracy for protein-lig...

0 Austin Clyde, et al. ∙

research

∙ 06/09/2021

Workflows Community Summit: Advancing the State-of-the-art of Scientific Workflows Management Systems Research and Development

Scientific workflows are a cornerstone of modern scientific computing, a...

0 Rafael Ferreira da Silva, et al. ∙

research

∙ 05/27/2021

RADICAL-Pilot and Parsl: Executing Heterogeneous Workflows on HPC Platforms

Executing scientific workflows with heterogeneous tasks on HPC platforms...

0 Aymen Alsaadi, et al. ∙

research

∙ 04/10/2021

Achieving 100X faster simulations of complex biological phenomena by coupling ML to HPC ensembles

The use of ML methods to dynamically steer ensemble-based simulations pr...

20 Alexander Brace, et al. ∙

research

∙ 03/16/2021

Workflows Community Summit: Bringing the Scientific Workflows Community Together

Scientific workflows have been used almost universally across scientific...

0 Rafael Ferreira da Silva, et al. ∙

research

∙ 03/04/2021

Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers

The race to meet the challenges of the global pandemic has served as a r...

0 Agastya P. Bhati, et al. ∙

research

∙ 02/26/2021

Design and Performance Characterization of RADICAL-Pilot on Leadership-class Platforms

Many extreme scale scientific applications have workloads comprised of a...

0 Andre Merzky, et al. ∙

research

∙ 10/27/2020

Comparing Workflow Application Designs for High Resolution Satellite Image Analysis

Very High Resolution satellite and aerial imagery are used to monitor an...

0 Aymen Al Saadi, et al. ∙

research

∙ 10/20/2020

Scalable HPC and AI Infrastructure for COVID-19 Therapeutics

COVID-19 has claimed more 1 million lives and resulted in over 40 millio...

0 Hyungro Lee, et al. ∙

research

∙ 10/13/2020

IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads

The drug discovery process currently employed in the pharmaceutical indu...

0 Aymen Al Saadi, et al. ∙

research

∙ 09/17/2019

DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding

Simulations of biological macromolecules play an important role in under...

0 Hyungro Lee, et al. ∙

research

∙ 09/08/2019

Characterizing the Performance of Executing Many-tasks on Summit

Many scientific workloads are comprised of many tasks, where each task i...

0 Matteo Turilli, et al. ∙

research

∙ 04/05/2019

RADICAL-Cybertools: Middleware Building Blocks for Scalable Science

RADICAL-Cybertools (RCT) are a set of software systems that serve as mid...

0 Vivek Balasubramanian, et al. ∙

research

∙ 03/24/2019

Middleware Building Blocks for Workflow Systems

This paper describes a building blocks approach to the design of scienti...

0 Matteo Turilli, et al. ∙

research

∙ 08/02/2018

Synapse: Synthetic Application Profiler and Emulator

Motivated by the need to emulate workload execution characteristics on h...

0 Andre Merzky, et al. ∙

research

∙ 04/12/2018

Adaptive Ensemble Biomolecular Simulations at Scale

Recent advances in both theory and methods have created opportunities to...

0 Vivek Balasubramanian, et al. ∙

research

∙ 04/12/2018

Implementing Adaptive Ensemble Biomolecular Applications at Scale

Many scientific problems require multiple distinct computational tasks t...

0 Vivek Balasubramanian, et al. ∙

research

∙ 01/08/2018

Towards General Distributed Resource Selection

The advantages of distributing workloads and utilizing multiple distribu...

0 Ming Tai Ha, et al. ∙

research

∙ 01/05/2018

Design and Performance Characterization of RADICAL-Pilot on Titan

Many extreme scale scientific applications have workloads comprised of a...

0 Andre Merzky, et al. ∙

research

∙ 01/03/2018

Rapid, concurrent and adaptive extreme scale binding free energy calculation

The recently demonstrated ability to perform accurate, precise and rapid...

0 Jumana Dakka, et al. ∙

research

∙ 12/26/2017

High-throughput Binding Affinity Calculations at Extreme Scales

Resistance to chemotherapy and molecularly targeted therapies is a major...

0 Jumana Dakka, et al. ∙

research

∙ 10/23/2017

Harnessing the Power of Many: Extensible Toolkit for Scalable Ensemble Applications

Many scientific problems require multiple distinct computational tasks t...

0 Vivek Balasubramanian, et al. ∙

Matteo Turilli

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