The Homepage of Hannes H. Löffler

Welcome to the homepage of Hannes Löffler.

I am currently working for the Science and Technology Facilities Council at Daresbury Laboratory, UK.

I previously worked as a research fellow in Assoc. Prof. Akio Kitao's Laboratory of Molecular Design (Center for Bioinformatics, Institute of Molecular and Cellular Biosciences, University of Tokyo, Japan).

Research

I obtained my PhD in chemistry from the Leopold–Franzens Universität Innsbruck, Austria. My speciality is computational chemistry/theoretical chemistry. In my research I use force field methods, molecular dynamics, ab initio, and DFT methods.

During my PhD, and during my postdoc studies at Nagoya University I investigated ions in aqueous solution by means of conventional MD and a combined QM/MM–MD method to gain new insights into structure and (exchange) dynamics.

My reasearch at the University of Tokyo concentrated on the dynamics of proteins in solution. In particular, we are interested in collective motions and hydration of the biopolymer studied by atomic–level MD simulations and explicit water models.

At Daresbury Laboratory I am researching membrane receptor systems with atomic–level and coarse-grained MD simulations.

(See publications)

Computers

I have been using computers since the mid 1980s. I have learned most of what I know about computers today by myself. Since my time as a graduate student I have been administrating mostly Unix systems and programmed both within (e.g. our own QM/MM–MD simulation program) and outside of the academic field.