Condensed Matter Research
In my research I use computational methods to study crystal structures from first-principles to solve problems related to condensed matter. These methods primarily are based off of Density Functional Theory (DFT) along with other tools from solid state theory. The most common software I use includes VASP, Quantum Espresso, and Wien2k. I have also got familiar with software packages such as Phonopy and thirdorder.py that are used to calculate the 2nd and 3rd order interatomic force constants (IFC's) of a given crystal. With another software package called ShengBTE, that uses the IFC's along with the Born effective charges and dielectric tensor (calculated with VASP) to solve the Boltzmann's Transport Equation, and ultimately calculate the lattice contributions to thermal conductivity at a variety of temperatures for a given crystal structure.
Here is some information about the general process I follow in order to do my research and some examples.
[Research Project Overview] [InAs Example] [Silicon Example]
To view my progress on this project follow the link below.