Dear developers,
My name is Pablo Blanco, I work as a post-doc in the lab of Peter Košovan. We are planning to develop an algorithm to study reversible association reaction using the reaction ensemble. For now, we are working at the scripting level but once the algorithm is properly validated we plan to implement it to espresso.
Regarding my programming experience, it started during my master studies at the University of Barcelona, where I learned the basics of Python3 and Fortran90. Later, during my PhD thesis I learned C++ and I developed two codes for molecular simulation in this language. One code allowed Monte Carlo simulation in the Semi-Grand Canonical ensemble conceived to study the influence of charge regulation in weak polyelectrolytes. The other was a Brownian Dynamics code, which allowed me to study protein diffusion on crowded media.
Looking forward to join the community,
Best,
Pablo
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Dr. Pablo M. Blanco
Department of Physical and Macromolecular Chemistry;
Faculty of Science
Charles University
Faculty of Science
Albertov 6, 128 00 Praha 2