S

scientific computing

Implementation of the Mixed Hybrid Finite Element Method using the Template Numerical Library

Code and manuscript for paper "Rapid Variable Resolution Particle Initialization for Complex Geometries".

A Fortran program that performs a Monte Carlo simulation to study the interaction and equilibrium behavior of two water molecules using atomistic potentials and periodic boundary conditions.

Armadillo: fast C++ library for linear algebra (matrix maths) & scientific computing - https://arma.sourceforge.net

A Fortran program that estimates Pi using three different Monte Carlo methods: geometric, hit-and-miss and sample mean.

Simple Van der Waals gas simulation program written in Fortran. Includes a serial code version and a version parallelized using OpenMPI.

SuperConga: Superconductivity simulation framework on GPU.

LibKet (pronounced lib-ket) - The Quantum Expression Template Library. https://libket.readthedocs.org, https://libket.gitlab.io/LibKet/

A python package for simplifying your numpy/matplotlib workflow.

Code and manuscript for "Robust Solid Boundary Treatment Method for Compressible Smooth Particle Hydrodynamics"

The aim of this project is to collect subroutines used commonly in scienctific computing and name them as they're named in python. See examples of linspace, interpolation and integrating an analytical function, integrate a numerical function saved on a file below.

This program calculates the energy of a triangulene or a graphene nanoisland -GNI- using a Huckel matrix, and diagonalizes it.

Python Toolset to visualize and analyse SAXS tensor tomography datasets.

Object Oriented Programming for Scientific Computing.

High performance linear algebra and scientific computing library, written in pure C#.

A selection of sociophysical models.