
Bright and capable Research Executive skilled at planning and conducting research into diverse topics such as Molecular Simulations, Biomolecules Nanosystems, and Software development. Veteran of Scientific Research and eager to advance professionally in dynamic new role with long-term potential. First-rate skills in project, team and schedule management.
Academic and Commercial Software (Developer’s and User’s licenses):
3D-RISM-KH molecular solvation theory in-house software (Serial/Parallel Open-MP supported)
Amber molecular dynamics (MD) package, including AmberTools suite with 3D-RISM-KH
Quasidynamics software: Multi-Time-Step MD / 3D-RISM-KH / Generalized Solvation Force Extrapolation
Molecular Operating Environment (MOE) integrated drug discovery package, including 3D-RISM-KH module, Chemical Computing Group
Amsterdam Density Functional (ADF) and BAND Suites, Software for Chemistry & Materials (SCM), including 3D-RISM-KH module
AutoDock and AutoDock Vina for molecular docking and high throughput virtual screening (HTVS)
Gaussian16 suite of quantum chemistry programs
GROMACS molecular dynamics package pathed with PLUMED free-energy plugin
OpenMX computational chemistry package
CASTEP academic and commercial quantum chemistry software package
NAMD molecular dynamics package
LAMMPS molecular dynamics package
MATLAB suite of programs
MOPAC molecular orbitals package
Open Babel chemistry toolbox
VMD molecular modeling, data analysis and visualization
BLAS, LAPACK and FFTW libraries
Compilers: FORTRAN-90, C, Perl, Python, RStudio