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Author Archives: vitreousilica
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 frustration, molecular simulation, research, science
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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
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
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
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