Saúl Herrera González
24 oct 2017
Computational simulations of many-body systems
Molecular dynamics simulations are a widely used computational tool in physics. One can model gases, supercooled liquids, proteins, etc....
Saúl Herrera González
11 oct 2017
Echography simulation
Here we'll see how the Lattice-Spring Model (see Computational simulations of dynamical systems) can be used to simulate the dynamics of...
Saúl Herrera González
6 oct 2017
Structure generation for DFT
The Density Functional Theory (DFT) predicts a variety of chemical and physical properties, such as molecular structures, vibrational...
Saúl Herrera González
3 oct 2017
Measuring crystallinity with Spherical Harmonics
In the study of molecular dynamics simulations, having methods to characterize local structural order of the constituents of the system...
Saúl Herrera González
1 oct 2017
Machine learning and Fourier transform to speed up training
Machine learning is a fast growing field in computational sciences and data analysis. Its recent growing has been related to big data,...