CCES stories: Hervé Yviquel
Hello! My name is Hervé Yviquel. I am a research scientist in parallel computing. This...
Center for Computing in Engineering & Sciences
CCES is a world-class multidisciplinary research Center dedicated to advanced computational modeling in physical and chemical molecular sciences, computational mechanical engineering and materials, computational biology and bioinformatics, computational geophysics, and computer science. The Center provides an stimulating scientific environment for students and post-doctoral fellows interested in high-performance computer simulations, computational modeling, and data-intensive computing to solve frontier problems in molecular sciences and engineering.
Highlights
Lucas Miguel de Carvalho received honorable mention in Systems Biology and Simulation X-meeting 2023.
Gustavo Leite received the Best Poster Award Latin America HPC Conference (CARLA’22)
Analysis of protein-protein interaction and weighted co-expression networks revealed key modules and genes in multiple organs of Agave sisalana
Ion-Molecule Collision Cross-Section Simulation using Linked-cell and Trajectory Parallelization
MassCCS: A High-Performance Collision Cross-Section Software for Large Macromolecular Assemblies
CCES stories: Daniela Damasceno
My name is Daniela Andrade Damasceno. I did my PhD in Mechanical Engineering at Unicamp,...
Vibration readings and high computational power allow us to ‘see’ the bottom of the ocean
In order to see what is there bellow the bottom of the ocean, such as...
Lucas Miguel de Carvalho received honorable mention in Systems Biology and Simulation X-meeting 2023.
A new multidimensional systems biology analysis to predict xylose-fermenting yeast strain differences under 2G ethanol fermentation The fight against global...
Gustavo Leite received the Best Poster Award Latin America HPC Conference (CARLA’22)
A distributed linear algebra library using the OpenMP Cluster programming model....
Analysis of protein-protein interaction and weighted co-expression networks revealed key modules and genes in multiple organs of Agave sisalana
Agave plants are well-known for their drought resilience and commercial applications. Among them, Agave sisalana (sisal) is the species most...
Ion-Molecule Collision Cross-Section Simulation using Linked-cell and Trajectory Parallelization
Ion Mobility coupled to Mass Spectrometry (IM- MS) has become a highly valued tool for structural charac- terization of biological...
MassCCS: A High-Performance Collision Cross-Section Software for Large Macromolecular Assemblies
Ion mobility mass spectrometry (IM-MS) techniques have become highly valued as a tool for structural characterization of biomolecular systems since...
TMFree: A Compiler Mechanism to Elide Unnecessary Barriers in Transactional Memory Code
TMFree is a compiler mechanism implemented in LLVM that allows programmers to precisely identify and eliminate unnecessary barriers in their...
CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoff
L. Martínez, CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoff. Computer Physics...
BioNetComp: a Python package for biological network development and comparison
BioNetComp compares two biologial networks from a list of genes/proteins. It provides both an easy-to-use object-oriented Python API and a...
Cellulose-builder: a toolkit for building crystalline structures of cellulose
Cellulose-builder is a user-friendly program that builds crystalline structures of cellulose of different sizes and geometries. The program generates Cartesian...
FluidFreeEnergyforLAMMPS: Nonequilibrium Free-Energy Calculations of Fluids using LAMMPS
Scripts that allows to perform nonequilibrium free-energy calculations of fluid-phase systems using LAMMPS code. Details about the code implementation, capabilities...