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...
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
UNICAMP engineers are designing models to simulate how ground vibrations affect Sirius
Computational models may help increase the effectiveness of the source of synchrotron light A team...
CCES stories: Josué Labaki
My name is Josué Labaki; I am a professor at the School of Mechanical Engineering...
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...
LovoAlign: General molecular structural alignment package
LovoAlign is a new protein structural alignment package. The methods used for structural alignment are based on Low Order Value...
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...
ComplexMixtures.jl: A package to study the structure of solutions formed by solutes and solvents of complex molecular shapes.
ComplexMixtures is a Julia package to study the solute and solvent interactions of mixtures of molecules of complex shape. Conventional...
Packmol: A package to build initial configurations for molecular dynamics simulations
PACKMOL creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. The packing guarantees...
OmpCloud: Programming Cloud Clusters with OpenMP
OmpCloud is a toolset that allows you to use the cloud as an OpenMP offloading device. While offloading has been...
MDLovoFit: Automatic identification of mobile and rigid substructure in protein dynamics
MDLovoFit is a package for the analysis of the mobility and structural fluctuation in Molecular Dynamics simulations. It allows the...