Author Archives: vitreousilica

About vitreousilica

I am a researcher in computational materials science. I study problems related to materials chemistry and chemical physics and do a fair amount of scientific programming as a result.

Job Qualifications and Ph.D. Prospects

Being near the end of my graduate studies, I’ve starting looking at the jobs that other people have a little more critically.  Whereas I used to think in terms of “oh, that’s interesting,” I now find myself wondering “am I … Continue reading

Posted in Personal, Research, Science | Tagged , , , | Leave a comment

Revisiting Perl and Python’s Speed

I was really surprised to see the discussion that was generated as the result of my previous post comparing the speed of Python and Perl.  Many people much wiser than me posted a lot of valuable comments and suggestions, and … Continue reading

Posted in Technology | Tagged , , | Leave a comment

Switching from Perl to Python: Speed

The job listings in scientific computing these days seem to show a mild preference for applicants with backgrounds in Python over Perl. It has high-profile (or just highly visible?) packages like NumPy and Python’s MPI bindings for scientific computing, and … Continue reading

Posted in Computations, Technology | Tagged , , | 24 Comments

The Sad State of our Storage Situation

Despite being in the field of technical computing for over thirty years now, the level of technological sophistication in my research group has been stagnant for somewhere around twenty years.  Take for example our user authentication: We use NIS for … Continue reading

Posted in Technology | Tagged , , | Leave a comment

Wolf’s approximation of Madelung potentials

Wolf (Wolf, Keblinksi, Phillpot, and Eggebrecht, J. Chem. Phys. 110 (1999) 8254) came up with a very clever way to approximate the Madelung potential in infinite solids that is much less expensive to calculate than the traditional reciprocal-space-based Ewald methods, … Continue reading

Posted in Science | Tagged , , , | Leave a comment