Welcome to my Homepage.
As with any home page of any person that has a busy life, these pages are only occasionally updated and thus are constantly on the verge of becoming obsolete. The main purpose for keeping these pages around is to have a location to conveniently make material available that I have been working on, without being subjected to the constant file layout changes of university run webpages and without being tied to my current employer.
My current position is that of a Full Professor of Research (non-tenured) in Chemistry department of the College of Science and Technology as well as Associate Director of the Institute for Computational Molecular Science and High-Performance Computing team leader, all at Temple University in Philadelphia, PA.
On E-mails: As you may expect, I get a lot of e-mails, so I kindly ask you to understand that I am not always able to answer any question that is posed to me and that my replies may be delayed, short, and blunt. I also ask you to follow two suggestions to make it easier for me and thus more likely for you to get an answer:
1) please post questions about projects or software packages that have a mailing list or forum, to that mailing list or forum. This will help me keep my e-mail organized and gives you the chance of having other people with more experience to answer as well.
2) please introduce yourself (unless we have already communicated recently) and provide your affiliation. I don't like to communicate with anonymous (to me) people or pseudonyms and I may have forgotten who you were.
Since it is you that chooses to contact me, please have the courtesy to respect my wishes. Thanks in advance.
These days I spend a significant amount of time working on the LAMMPS MD simulation software and since fall 2018 I specialize in managing integration of code changes into LAMMPS on GitHub, fixing bugs, refactoring and improving the core code, testing, release management, and packaging. A recent special project has been the development of LAMMPS-GUI, a graphical editor for LAMMPS inputs that can also run LAMMPS, monitor its progress, visualize snapshots and more.
Unfortunately, maintaining an Open Source scientific software package is mostly "behind-the-scenes" work and thus it is not very visible to its users or generates many publications that advertise new algorithms and features and therefore it is challenging to obtain funding for time, equipment, or travel. Thus most of my time is dedicated to managing the High-Performance Computing resources operated by the HPC team in the ICMS.
If you want to support the development and maintenance of LAMMPS, you could consider sponsoring my work. This can be done in multiple ways:
If you have a lot of money to spend and want in-house expertise from a LAMMPS guru, you could offer me a job where I can work most of my time on LAMMPS.
Alternately, you can sponsor or contract my LAMMPS development services through Temple University. Currently, about 10% of my time is funded this way and I am very eager to expand this. This is a bit of a "you-get-what-you-pay-for" kind of deal.
Another option is to provide in-kind donations of (new) computer equipment (I have access to plenty of used up old hardware through retired HPC equipment). Most useful are rack-mounted servers with a variety of architectures to renew and expand our pool of machines for running automated tests.
If you want to boost the LAMMPS development expertise of your group or team, you could invite me to stay for a few days. I am a curious person and enjoy traveling. If you are located overseas, it is probably a good idea to coordinate with other groups/teams for a multi-stop trip, so that the effort of travelling does not become a burden (and you can share costs on flights).
If any of this interests you, send me an e-mail and we can discuss details and terms. I may also be able to refer you to a LAMMPS developers that may be more suitable for your project.
