Contact me

Daniel Rohr, Ph.D.
Theoretical Chemist

Rice University
Department of Chemistry
PO Box 1892 MS 60
77251-1892 Houston, TX

Phone: +1 713 348 2678



Dr. Daniel Rohr is a Theoretical Chemist and Theoretical Physicist interested in research on electronic structure methods. He is currently a fellow of the German National Academy of Sciences - Leopoldina. He works as a post-doc in the group of Prof. Gustavo Scuseria at Rice University in Houston, TX, USA.

The goal of his research is to improve the description of the most fundamental process in Chemistry - bond making and bond breaking. To this end he utilizes fundamental theories like Density Functional Theory (DFT), Density Matrix Functional Theory (DMFT), and Wave Function Theories (WFT). He develops, improves, implements, tests, and applies methods derived from these theories to capture electron correlation, in particular, static or strong correlation. The methods are implemented in quantum chemistry packages and will be made available to the public.



Paper is out
Our paper comparing DFT and MBPT using RPA and GW has been published in Phys. Rev. Lett.

Highly cited paper

The paper on the random phase approximation is the top 10 of the most cited papers in the Journal of Chemical Physics in 2012. You can find it here.

Marie-Curie Fellowship
I've been awarded the prestigious Marie-Cure Fellowship of the European Union. I will join the group of Prof. Angel Rubio in San Sebastian, Spain starting in May 2013.

Future papers
We are preparing a draft of my research on projected quasi particle theory.