Leif D. Jacobson 
Leif D. Jacobson | Research Interests Publications Software Contributions Recreational Interests Education Contact Homepage |
As a graduate student my advisor and I developed software to run mixed quantum/classical simulations where a single particle is treated quantum mechanically. This was used to study the behavior of the hydrated electron. I am also a contributor to the Q-Chem software package. This is a large electronic structure package that utilizes Gaussian basis functions to compute electronic properties of finite sized systems by finding approximate solutions to the electronic Schroedinger equation. I am also working on an efficient implementation of periodic boundary conditions so that the power of Q-Chem can be brought into the realm of solid state physics. More recently I have been writing some code in Quantum Espresso which is a nice open source project that performs plane wave plus pseudopotential DFT calculations. It has a lot of postprocessing utilities and interfaces with a few programs that can perform GW related calculations. I will likely make the code I write in this package freely available as some sort of plugin in the future. |