Advanced School of Molecular Simulation
October 16th to 18th, 2023. Campinas, Brazil Institute of Chemistry – University of Campinas (UNICAMP) Lecturer Prof. Wilfred van Gunsteren, ETHZ, Switzerland www.igc.ethz.ch and www.gromos.net
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Post-Doctoral position: Dynamics and reaction mechanisms of carbohydrate-active enzymes
The Center for Computing in Engineering and Sciences (CCES) at the State University of São Paulo (UNICAMP) in Brazil seeks to fill two post-doctoral positions in the
Post-Doctoral position: Molecular Modeling of Protein-Solvent interactions
The Center for Computing in Engineering and Sciences (CCES) at the State University of Campinas (UNICAMP) in Brazil is seeking to fill a post-doctoral position
MassCCS: Massive Collision Cross Section calculations for large macromolecular assemblies
This repository contains a set of source codes and input scripts that allows to perform nonequilibrium f MassCCS is an efficient parallel software for calculating
Selecting efficient VM types to train deep learning models on Amazon SageMaker
The cloud has become a popular environment for running Deep Learning (DL) applications. Public cloud providers charge by the amount of time the resources are
The OpenMP Cluster Programming Model
Despite the various research initiatives and proposed programming models, efficient solutions for parallel programming in HPC clusters still rely on a complex combination of different
Improving Phased Transactional Memory via Commit Throughput and Capacity Estimation
Transactional Memory (TM) is a programming abstraction that aims to ease parallel programming in shared-memory architectures. Both Hardware (HTM) and Software Transactional Memory (STM) implementations
Using Barrier Elision to Improve Transactional Code Generation
With chip manufacturers such as Intel, IBM, and ARM offering native support for transactional memory in their instruction set architectures, memory transactions are on the
Using OpenMP to Detect and Speculate Dynamic DOALL Loops
Production compilers such as GCC, Clang, IBM XL and the Intel C Compiler employ multiple loop parallelization techniques that help in the task of parallel
Unsteadiness of shock-boundary layer interactions in a Mach 2.0 supersonic turbine cascade
The physics of shock-boundary layer interactions (SBLIs) in a supersonic turbine cascade at Mach 2.0 and Reynolds number 395,000, based on the axial chord, is
Analysis of the onset and evolution of a dynamic stall vortex on a periodic plunging aerofoil
The onset and evolution of the dynamic stall vortex (DSV) are analysed by means of large eddy simulations of an SD7003 aerofoil undergoing periodic plunging
Transition, intermittency and phase interference effects in airfoil secondary tones and acoustic feedback loop
A large eddy simulation is performed to study secondary tones generated by a NACA0012 airfoil at angle of attack of α=3∘ with freestream Mach number