Interests
Physics
{
Atomic and Molecular [10] Clusters [7–9, 11, 16, 17, 21, 22, 24, 25, 32–34, 40,
41]
{
Classical and Quantum Molecular Dynamics Simulations [3, 4, 7, 8, 20, 23, 26–30,
32, 33, 42, 43, 45, 47]
{ Many Body Potentials [30, 47]
{ Ion-surface Collisions [20, 26, 42, 43]
{ Hydrogen Storage [21, 22, 24]
{ Energy Storage - Supercapacitors [2]
Chemistry
Electronic Structure Calculations/Computational Chemistry [1–6, 9–11, 13, 15–19,
21, 22, 24, 25, 31, 34, 40, 41, 46]
Computer
Parallel Computing & High Performance Computing (HPC) [7, 8, 12, 14, 20, 23,
26–29, 32, 33, 35, 36, 42–46], Data Mining [12, 14, 35, 36, 44]
Main Focus
Carbon [1–6, 13, 15, 18, 19, 23, 27, 28, 31, 38, 41, 45, 46] and boron [1–5, 9, 11,
16, 17, 25, 29, 31, 34, 40] based nano and periodic systems: Structural, electronic
and magnetic properties
Computer and Scientific Skills
Development, Software and Technical
EAM MD
Parallelization of an Embedded Atom Model Molecular Dynamics (EAM MD)
program and application to ion-surface collisions and clusters [7, 8, 20, 26, 32, 33,
42, 43]
TBMD
Writing and Parallelization of a Tight Binding Molecular Dynamics (TBMD) program
and application to carbon nanotubes [23, 27–29, 45]
MD
Writing of a Classical Molecular Dynamics (MD) program and application to copper
clusters [30, 47]
Languages Fortran, C, C++, Bash Scripts, Python
Compilers Intel, Portland
Debuggers TotalView, gdb
Libraries
(Sca)+Lapack, Blas, MPI(Message Passing Interface), PVM (Parallel Virtual Ma-
chine), OpenMP
General L
A
T
E
X, PovRay
Math Matlab, Mathematica
Networking LAN (Local Area Network) administration with Linux
Cluster Build-up, Administration
Technical
Course
CISCO CCNA Computer Networks, October 2006-June 2007, Ankara, METU Türkiye
(Certificate)
Technical
Course
Joint ICTP-INFM School on High Performance Computing on Linux Clusters, 31
January-15 February 2002, Trieste, Italy (Participation)
2