A large part of my research involves development of scientific software, either to directly simulate a given system, or to post-process and analyze the data produced by publicly available packages like LAMMPS or HOOMD Blue.
I have an extensive background in advanced numerical techniques and strong knowledge of C/C++, Python, Fortran 77/90 and Unix/Linux shell scripting. I am also proficient in parallel programming with MPI/OpenMP as well as in graphics card programming.
Scientific codes I have developed
(listed in a reversed chronological order)
a flexible object-oriented Monte Carlo code for initializing, simulating, and analyzing multicomponent charged elastic and liquid membranes
around 35,000 lines of C++ and 12,000 lines of Python code
- NPT integrator, Morse and electrostatic potentials for HOOMD-Blue
approximately 2,000 lines of GPU CUDA C code
object-oriented toolkit for rapid construction of initial configurations for simulations of nanoparticle/copolymer systems
approximately 15,000 lines of Python code
a library of Python classes for data analysis of coarse grained molecular dynamics simulations
approximately 3,000 lines of Python code
a Monte Carlo simulation of charged lipid bilayer using fast Green’s function method
approximately 5,000 lines of C++ code
Monte Carlo simulation of colloid systems
around 3000 lines of C++ code.
Python toolkit for generating initial configuration for molecular dynamics simulations of coarse grained proteins and lipids
approximately 5000 lines of Python code
set of tools for solving and analyzing fluctuation exchange approximation (FLEX) equations for superconductors
approximately 18,000 lines of ANSI C and 1,000 lines of Python code, parallelized with OpenMP and MPI
a general purpose molecular dynamics code
over 17,000 lines of C++ code, parallelized with MPI
solver for Bogoliubov-de Gennes equations for type II superconductors in external magnetic field
approximately 5,000 lines of Fortran 90 code
conductivity calculation of a random resistor network
over 4000 lines of C code parallelized using MPI
a simple OpenGL based tool for alignment of structures produced in molecular dynamics simulations
around 2000 lines of C++ OpenGLcode
Monte Carlo code for simulation of Ising and Heisenberg spin models with correlated disorder
approximately 4,000 lines of C/C++ code
...and many many more short programs and scripts.
If you are interested to learn more about any of those codes, please send me an e-mail.