Group Members

Current graduate students

  • Lee Huntington, PhD (pCCSD and automatic code generation in ORCA (MR-EOMCC))
  • Prateek Goel, PhD (Vibronic Simulations of timeresolved photo-electron spectra and resonance Raman processes)
  • Zhebing Liu, MSc (Benchmark studies of Multireference Equation of Motion Coupled Cluster)
  • Past graduate students

  • John Sous, MSc 2013, Combining Similarity transformed Equation of Motion Coupled Cluster (STEOM-CC), Vibronic Coupling models, and Spin-Orbit Coupling: Towards a first principles description of intersystem crossing
  • Prateek Goel, MSc 2012, Vibronic Simulations of photo-detachment spectra
  • Liguo Kong, PhD 2009, Internally contracted multireference coupled cluster method and normal-order-based automatic code generator
  • Dominika Zgid, PhD 2008, Orbital optimization using the Density Matrix Renormalization Group
  • Anirban Hazra, PhD 2005, Electronic absorption spectra from first principles
  • Mark Wladyslawski, ...., Analytical gradients for Similarity Transformed Equation of Motion Coupled Cluster methods
  • Postdoctoral Associates

  • Victor Lotrich, 1998-1999 (automatic code generation for MRCC methods), Research ass. University of Florida
  • Saroj Nayak, 1999-2000 (calculations on magnetic metal clusters), Prof. Renselaer Polytechnic
  • Alexander Auer, 2001-2002 (local correlation), Research leader Max Planck Mulheim
  • K. R. Shamasundhar, 2003-2004 (MRCC and MRCI), Research Associate Stuttgart
  • Ondrej Demel, 2005 (MRCC), Research Associate Prague
  • Bijoy Dey, 2006-2008 (Optimal control Theory with vibronic models), Prof. Sioux Falls
  • Jason Stuber, 2009-2011, (Coherent state Frank-Condon approach)
  • Dipayan Datta, 2010-2011, (internally contracted MRCC, MR-EOMCC), PDF Mainz
  • Zijian Long, 2012, (angle resolved photoelectron spectroscopy and strong field ionization)
  • List of current and past undergraduate students / Summer Projects

  • Ayan Chatterjee, 2012, (Path Integral statmech of model vibronic systems)
  • Mainkan Mustafi, 2012, (Sum over States statmech of model vibronic systems)
  • Julia Endicott, 2012, (Construction of Vibronic models)
  • Trevor Maxim, 2012, (Triples corrections for pCCSD method)
  • Yao Li, 2011, (Simulating Vibronic spectra using time-dependent MCTDH method)
  • Zhebing Liu 2011, (Benchmarking LPNO-pCCSD and testing pCCSD-r12 approaches)
  • Carl Haugen 2011, (Investigation of two-photon absorption spectroscopy)
  • Matthew Schmidt 2011, (Calculation of asymptotic long range coefficients using coupled cluster theory)
  • Mukto Akash 2010, (Relativistic Dynamics, classical and quantum)
  • Lee Huntington, 2009 (Solving one-electron Schroedinger and Dirac equations in 4 dimensions)
  • Debajoti Uphadhyay 2008, (Investigations of Covariant Many-Body Classical Mechanics)
  • Rahul Maitra, 2008, (Automatic code generation for MRCC methods)
  • Eric Prownow, 2007 (Cholesky decomposition in CCSD)
  • David Dick, 2007 (Cholesky decomposition of two-electron integrals)
  • Sarika Pal, 2006 (Benchmarking XCI and renormalized triples CC methods)
  • Manabendra Nath Bera, 2006 (Benchmarking XCI and renormalized triples CC methods)
  • Aneta Chmielewski, 2005 (Analysis of Time-dependent Wave functions)
  • Akshansh Agarwal, 2005 (Code generator for unitary group Wick's theorem)
  • Chris Leon, 2004 (Many-Body transformation approach to vibronic coupling)
  • Hannah Chang, Princeton, 2003 (From Electronic Structure Theory to Molecular Spectroscopy)
  • Ben Horwich, Princeton, 1999 (Investigations into the Electronic Structure of small organic diradicals)