I am a computational biophysicist at CNRS 
with a long-standing interest in reproducible computer-aided research. I was a founding member of the Numerical Python team and am an author or co-author of several Open Source scientific software packages. I am a member of the editorial boards of Computing in Science & Engineering magazine and of ReScience C . I recently published a book on Computation in Science .
My current focus in computational science is a better treatment of computational models. Scientific models are one of two pillars of science, along with observations. Traditionally, models have been the main objects of attention in theoretical science. But with the advent of computers, models are being absorbed into code, where they are invisible and inaccessible.
For an introduction to this problem see my article Computational science: shifting the focus from tools to models .
My current project in this space is Leibniz, a Digital Scientific Notation for computational physics and chemistry.
See also my digital garden on science in the digital era.