Current Group Members

Ken Jordan (Short CV, Google Scholar Profile)
Richard King Mellon Professor
Senior Editor, J. Phys. Chem.
jordan@pitt.edu
Office: Eberly Hall 330
Phone: (412) 624-8690

Tae Hoon Choi
Research Assistant Professor
thc9@pitt.edu
Office: Eberly Hall 332

Tae Hoon received his Ph. D. in 2010 in our group, and moved to University of Chicago for his post- doctoral research under the supervision of Prof. Greg Voth. Then he went back to Korea and started the work as a non-tenure track professor (Researches and teaching) in Chungnam National University. He had been working about MC and MD simulation using the QM or QM/MM technique for water, organic and biomolecules, and nano-material systems. Then, he rejoined our group and has been working on the bound anion state of water clusters and carbon-based materials using PISCES.
Kaye Archer
5th-Year Graduate Student
kaa82@pitt.edu
Office: Eberly Hall 332

Kaye attended Armstrong State University where she received B.S. degrees in Mathematical Sciences and Applied Physics, and contributed to research in Prof. Shields' group on benchmark structures and binding energies of small water clusters, accurate predictions of water cluster formation (H2O) n, n = 2-10, and the atmospheric implications of sulfuric acid hydration. Since then, she has joined our group and have been working on water-mediated proton-coupled electron transfer and the development of a self-consistent polarization model utilizing quantum Drude oscillators.
Tuguldur Togo Odbadrakh
5th-Year Graduate Student
odt2@pitt.edu
Office: Eberly Hall 332

Togo received his B.S. in Chemistry from West Virginia University in 2012 where he contributed to research in organic synthesis chemistry in the research group of Prof. Xiaodong Shi. Since then, he has been working on his Ph.D. at the group. Togo has contributed to the application of quantum chemistry methods to Drude oscillators, vibrational spectroscopy of protonated water clusters, as well as intermolecular interactions in methane clathrate hydrates in the gas-phase.
Kevin Gasperich
3rd-Year Graduate Student
keg56@pitt.edu
Office: Eberly Hall 332

Kevin received his B.S. in Chemical Engineering from Penn State University. He joined our group in the summer of 2014 and has been using quantum Monte Carlo to study weakly interacting systems.
Abhijeet Das
3rd-Year Graduate Student
abd43@pitt.edu
Office: Eberly Hall 332

Abhijeet attended the Indian Institute of Technology Kanpur (IIT Kanpur) where he received his B.S. and M.S. degrees in Chemistry. He joined our group in the spring of 2015, and has been working on studying temporary anions.
Arailym Kairalapova
2nd-Year Graduate Student
ark118@pitt.edu
Office: Eberly Hall 332
Arai attended Nazarbayev University where she received her B.S. degree in Chemistry. She joined our group in the spring of 2016.
Bryan Henderson
1st-Year Graduate Student
bvh5@pitt.edu
Office: Eberly Hall 332
Bryan attended North Dakota State University where he received his B.S. in Chemistry in 2016, where he calculated electronic and binding properties of chlorinated carbon natotubes. He joined our group in the spring of 2017.
Shiv Upadhyay
1st-Year Graduate Student
shu8@pitt.edu
Office: Eberly Hall 332
Shiv attended Duquesne University where he received his M.S. degree in Chemistry under Dr. Jeffry D. Madura in 2017. His M.S. research involved the study of aqueous systems using quantum Monte Carlo. Shiv also earned a B.A. in Biological Physics from Washington and Jefferson college in 2015. He joined our group in the summer of 2017.
Elaine Springel
Administrative Assistant
ems@pitt.edu
Office: Eberly Hall ###


Former Group Members (1995-Present)

Recent Graduates

  • Xun Wang, Ph.D., 2016
  • Michael Deible, Ph.D., 2015
  • Meysam Makaremi, Ph.D., 2015
  • Ozan Karalti, Ph.D., 2014
  • Wendy Lampart, Ph.D., 2014
  • Eric Kratz, Ph.D., 2014
  • Vamsee Voora, Ph.D., 2014
  • Xiaoge Su, M.S., 2013
  • Jiawei Xu, Ph.D., 2012
  • Guozhen Zhang, Ph.D., 2012
  • Glen Jenness, Ph.D., 2011
  • Jing Ding, Ph.D., 2011
  • Dongliang Yang, M.S., 2010
  • Tae Hoon Choi, Ph.D., 2010
  • Albert DeFusco, Ph.D., 2008
  • Valerie McCarthy, Ph.D., 2008
  • Kadir Diri, Ph.D., 2007
  • Jun Cui, Ph.D., 2007
  • Li Feng, MS, 2007
  • Suzanne Gardner, M.S., 2007
  • Alex Bayden, Ph.D., 2005
  • Ming-Kang Tsai, Ph.D., 2005
  • Hanbin Liu, Ph.D., 2005
  • Richard Christie, Ph.D.,2004
  • Feng Wang Ph.D., 2003
  • Arnold Tharrington, Ph.D., 2002
  • Jan Steckel, Ph.D., 2001
  • John Wood, M.S., 2001
  • Fernando Vila, Ph.D., 2000
  • Marc Pedulla, Ph.D., 1998
  • Mark Schwartz, M.S., 1998
  • Richard Christie, Ph.D., 1997
  • Sharon Fredericks, Ph.D., 1997
  • Dan Love, Ph.D., 1996
  • Dana Nachtigallova, Ph.D., 1995
  • Petr Nachtigall, Ph.D., 1995
  • Chung-Jung Tsai, Ph.D., 1992
  • Nick Nystrom, Ph.D., 1992
  • Pamela Bolkovac, M.S., 1992
  • Mike Falcetta, Ph.D., 1991
  • Yeong Choi, Ph.D., 1990
  • Shan-Jen Chen Huang, Ph.D., 1989
  • Jeng Shiow-Yan Chao, Ph.D., 1988
  • Balaji Veeraraghavan, Ph.D., 1986
  • Mishta Rama Krishna, Ph.D., 1986
  • Lily Ng, Ph.D., 1985

Postdocs

  • Kausik Sen, 2016
  • Mary Sherman, 2015-2016
  • Nagaprasad Reddy Samala, 2015-2016
  • Tijo Vazhappilly, 2013-2014
  • Zach Pozun, 2013-2014
  • Aude Marjolin, 2012-2013
  • Fang-fang Wang, 2008-2012
  • Miroslav Rubes, 2011-2012
  • Zhuo Wang, 2010-2011
  • Revati Kumar, 2008-2010
  • Daniel Schofield, 2007-2010
  • Haitao Liu, 2007-2009
  • Hao Jiang, 2005-2008
  • Yevgeny Myshakin, 2003-2007
  • Mahalakshmi Sahasrananam, 2002-2003
  • Ellen Vayner, 2002-2003
  • Dominic Alfonso, 2000-2002
  • Karen Karapetian, 2000-2002
  • Lindsey Munro, 1998-2000
  • Kyungsun Kim, 1994-1995
  • John Nash, 1991-1992
  • Ellen Zeman, 1987
  • Steve Fleischman, 1987
  • Arshad Kahn, 1986
  • Wolfgang Schaefer, 1985-1986
  • John H. Yates, 1983-1984
  • John Lin, 1983
  • Sunil Koovakkat, 1980-1987
  • Shogo Sakai, 1980-1982
  • Yasunori Yoshioka, 1980-1981
  • Henry Kurtz, 1977-1982

Senior Visitors

  • Emanuele Curotto, 2015-2016
  • Masumeh Fourotan, 2011-2012
  • Wissam Al-Saidi, 2009-2012
  • Mike Falcetta, 2007-2009
  • Thomas Sommerfeld, 2005-2012

Visiting Students

  • Reena Sen (Indian Institute of Science, Education and Research), 2016
  • Rituparna Bhattacharjee (Birl Inst. Technology and Science), 2014
  • Alan Nichol (Univ. Cambridge), 2013
  • Anthony Reilly (FHI, Berlin), 2013
  • Jan Hermann (Charles Univ.), 2012
  • Lucas Grajciar (Charles, Univ., Prague), 2011
  • Miroslav Rubes, (Charles Univ., Prague), 2010
  • Pawel Siuda (Univ. Warsaw), 2009, 2012
  • Milan Sindelka (Czech Academy of Sciences), 2002.

Undergraduate Students

  • Chandler Yocca, 2017
  • Jason Ong, 2017
  • Jenni Mei Faust, 2017
  • Allan Yue, 2015 - 2017
  • Hsiu-Yao Cheng, 2016
  • Jeng Shiow-Yan Chao, 2016
  • Allen Poon, 2016
  • Brian Knotten, 2016
  • Elias Dowling-Huppert, 2016
  • Dennis Doyle, 2016
  • Pearl Galido, 2016
  • Guanhua Huang, 2015 - 2016
  • Nuria Marquez Martinez, 2015
  • Aaron Miller (Monte Carlo simulations of Xe clusters), 2015
  • Salvador Gala (Monte Carlo algorithms), 2015
  • Richard Hollenbach, 2015
  • Melody Kessler (Quantum Monte Carlo), 2014
  • Sara Park, 2014
  • Jeff Brindle, 2014
  • Brittany Leger, 2014
  • Michael DeMarco, 2014
  • Suyu Xia, 2014
  • Kevin Hennessey, 2013
  • Ian Boyd, 2012
  • Roger Boff (Hydrate formation in confined environments), 2011-2012
  • Tom Nason (Implementing force fields on GPUs), 2011
  • Elizabeth Hocking (Coarse grained models of water), 2009-2011
  • Shannon Stauffer (Coarse grained models of water), 2009-2011
  • Katherine Durgin (Monte Carlo` Simulations of Clusters) 2008
  • Ben Skerl (Electronic structure of H-bonded Clusters), 2008
  • Nathaniel Swensen (Monte Carlo simulations on a GPU), 2008
  • Neeraj Tibrewal (Simulations of protonated water clusters), 2008
  • Andrew Petit (sampling methods for Monte Carlo simulations), 2007
  • Ryan Cheng, BBSI summer program (models for protein folding), 2006
  • Kristen Rozella (modeling water clusters), 2005-2006
  • Stephen Crary (animation of chemical reactions), 2006
  • Glen Richard (modeling water clusters), 2004
  • Wendy Lampart (modeling water clusters)2003-2004
  • Tom Johnson (3D stereo project), 2003
  • Steve Ascenio (3D stereo project), 2003
  • Chris Hurt (3D stereo project), 2002

Group Photo Archive

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