Since September 2014, I'm the Manager of Research Computing at Lehigh University in Bethlehem, PA
Previously, I was a User Services Consultant with the High Performance Computing at Louisiana State University.
I helped LSU and LONI HPC users with
- Building codes,
- Install and use of software packages, and
- Troubleshoot problems with running jobs on HPC clusters.
- Organize and provide trainings and workshops.
- Maintain Grid Services on LONI clusters.
I'm a computational chemist by training with interest in Ab-Initio Molcular Dynamics, Spectroscopy, and Scientific Computing. I program in Fortran, bash and tcsh, OpenMP and am currently playing with OpenACC. Slides for tutorials presented at LSU and LONI weekly trainings and workshops are available on the HPC Training page with exercises in the Downloads page. This page also contains some LaTeX beamer and powerdot style files that I created for my presentations.
Education
- B.Sc. St. Xavier's College, Mumbai, 1997
- M.Sc. University of Pune, Pune, 1999
- Ph.D. University of Florida, Gainesville, 2006
- PostDoc Indiana University, Bloomington, 2006-2010
Publications
- A. B. Pacheco, S. M. Dietrick, P. S. Stevens and S. S. Iyengar, "Pump-probe atom-centered density matrix propagation studies to gauge anharmonicity and energy repartitioning in atmospheric reactive adducts: Case study of OH + Isoporene and OH + Butadiene reaction intermediates", J. Phys. Chem. A 116, 4108 (2012).
- S. M. Dietrick, A. B. Pacheco, P. S. Stevens and S. S. Iyengar, "The influence of water on anharmonicity, stability and vibrational energy distribution of hydrogen-bonded adducts in atmospheric reactions: Case study of the OH + Isoprene reaction intermediate using ab-initio Molecular Dynamics", J. Phys. Chem. A 116, 399 (2012).
- A. B. Pacheco and S. S. Iyengar, "Multi-Stage Ab-initio Quantum Wavepacket Dynamics for Electronic Structure and Dynamics in open systems: Momentum Representation, Coupled Electron Nuclear dynamics and External Fields", J. Chem. Phys. 134, 074107 (2011).
- A. B. Pacheco and S. S. Iyengar, "A Multi-Stage Ab-initio Quantum Wavepacket Dynamics Formalism for Electronic Structure and Dynamics in Open Systems", J. Chem. Phys. 133, 044105 (2010).
- D. Vimal, A. B. Pacheco, S. S. Iyengar and P. S. Stevens, "Experimental and theoretical study of the kinetics of the OH + 1,3-butadiene reaction between 263 and 423 K at low pressure", J. Phys. Chem. A 112, 7227 (2008).
- A. B. Pacheco, B. Thorndyke, A. Reyes, and D. A. Micha, "Quantum dynamics of an excited alkali atom in a noble gas cluster: Lithium attached to a helium cluster", J. Chem. Phys. 127, 244504 (2007)
- A. B. Pacheco, A. Reyes, and D. A. Micha, "First principles dynamics treatment of light emission in alkali atom-noble gas atom collisions around 10 keV", Phys. Rev. A 74, 062714 (2006)
- A. B. Pacheco, A. Reyes, and D. A. Micha, "Light absorption during alkali atom-noble gas atom interactions at thermal energies: A quantum dynamics treatment", J. Chem. Phys. 125, 154313 (2006)
- A. B. Pacheco, "First Principles Dynamics of Transient Light Absorption and Emission of Alkali Atoms Interacting with Rare Gas Atoms", Ph. D. Thesis, University of Florida (2006).