cces cces – CCES Unicamp

Pesquisadores do CCES participaram de curso do MIT sobre modelagem multiescala de materiais

cces ccesJulho 6, 2021Julho 6, 2021

by cces ccesJulho 6, 2021Julho 6, 2021

Como prever de forma realista a possibilidade de fratura de um osso? Como obter próteses com propriedades próximas àquelas verificadas nos ossos dos pacientes? Essas

CCES’s researchers attended MIT course on multiscale modeling of materials

cces ccesJulho 6, 2021Julho 10, 2021

by cces ccesJulho 6, 2021Julho 10, 2021

How to predict bone fracture? How can we design prostheses that behave just like the patient’s bone? The CCES’s researchers Amadeus Alcântara and Caio Ramos

Crystal imperfections in ice Ih

cces ccesJunho 25, 2021Junho 25, 2021

by cces ccesJunho 25, 2021Junho 25, 2021

Due to its molecular nature, the fundamental asymmetry of the hydrogen bond, and proton disorder, crystal defects in this condensed form of water reveal a

Comparative proteomic analysis of dental cementum from deciduous and permanent teeth

cces ccesJunho 25, 2021Junho 25, 2021

by cces ccesJunho 25, 2021Junho 25, 2021

Background and objectives: Dental cementum (DC) is a mineralized tissue covering tooth roots that plays a critical role in dental attachment. Differences in deciduous vs.

Parallel programming education at the CCES

cces ccesJunho 9, 2021Junho 9, 2021

by cces ccesJunho 9, 2021Junho 9, 2021

The gigantic increase in demand for Computing in the last 50 years has allowed the emergence of large-scale computational systems based on computer clusters. These

Advancing Science with Cloud Computing

cces ccesJunho 9, 2021

by cces ccesJunho 9, 2021

FluidFreeEnergyforLAMMPS: Nonequilibrium Free-Energy Calculations of Fluids using LAMMPS

cces ccesMaio 31, 2021Maio 31, 2021

by cces ccesMaio 31, 2021Maio 31, 2021

Scripts that allows to perform nonequilibrium free-energy calculations of fluid-phase systems using LAMMPS code. Details about the code implementation, capabilities and obtained results with these

Wrapping Up Viruses at Multiscale Resolution: Optimizing PACKMOL and SIRAH Execution for Simulating the Zika Virus

cces ccesMaio 31, 2021Junho 9, 2021

by cces ccesMaio 31, 2021Junho 9, 2021

Simulating huge biomolecular complexes of million atoms at relevant biological time scales is becoming accessible to the broad scientific community. That proves to be crucial

ComplexMixtures.jl: A package to study the structure of solutions formed by solutes and solvents of complex molecular shapes.

cces ccesMaio 31, 2021Maio 31, 2021

by cces ccesMaio 31, 2021Maio 31, 2021

ComplexMixtures is a Julia package to study the solute and solvent interactions of mixtures of molecules of complex shape. Conventional radial distribution functions are not

Parallel programming education at the CCES

cces ccesMaio 31, 2021Maio 31, 2021

by cces ccesMaio 31, 2021Maio 31, 2021

The gigantic increase in demand for Computing in the last 50 years has allowed the emergence of large-scale computational systems based on computer clusters. These

BioNetComp: a Python package for biological network development and comparison

cces ccesMaio 31, 2021

by cces ccesMaio 31, 2021

BioNetComp compares two biologial networks from a list of genes/proteins. It provides both an easy-to-use object-oriented Python API and a command-line interface (CLI) for network

BioNetComp: a Python package for biological network development and comparison

cces ccesMaio 31, 2021Maio 31, 2021

by cces ccesMaio 31, 2021Maio 31, 2021

Due to the large generation of omics data on a large scale in the last few years, the extraction of information from biological data has