Left to right on the picture: Arai, Elva, Kevin, Shiv, Ken, Mathew, Tae Hoon, Amanda, and Devin

Current Group Members

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

Tae Hoon Choi
Postdoc

Office: Eberly Hall 332
Shiv Upadhyay
6th-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.
Amanda Dumi
6th-Year Graduate Student
aed63@pitt.edu
Office: Eberly Hall 332
Amanda attended Duquesne University where she received her M.S. degree in Chemistry under Dr. Jeffry D. Madura in 2017. Her M.S. research involved the study of semi-classical transport in thermoelectric materials and exploring energetics of these materials with quantum Monte Carlo. Amanda also earned a B.S in Chemistry from Seton Hill University in 2014. She joined our group in the fall of 2017. She is currently working on the application of selected CI methods to non-valence correlation bound anion systems. Simultaneously, she is working with Dr Lambrecht at Florida Gulf Coast University on automatic fragmentation methods.
Devin Mulvey
5th-Year Graduate Student
dmm219@pitt.edu
Office: Eberly Hall 332
Devin attended Bloomsburg University of Pennsylvania where he received his B.S. in Chemistry and B.A. in Journalism. He joined our group in the summer of 2018. Currently, he is studying the non-valence correlation bound anions of carbon nanoflakes and the interaction between water and polycyclic aromatic hydrocarbons. These carbon systems are used as finite molecular models of graphene, in studying image potential states and the extent of wetting transparency of a monolayer.
Stephen Slimak
4th-Year Graduate Student
srs215@pitt.edu
Office: Eberly Hall 332
Stephen attended Lebanon Valley College where he received a B.S.C. in Chemistry and a B.S. in Mathematics. He joined our group in the summer of 2019, and currently researches the use of the stabilization method for calculating the complex resonance energies of temporary anions.
Sumaiya Tasnim
2nd-Year Graduate Student
sut20@pitt.edu
Office: Eberly Hall 332
Sumaiya attended St. Xavier's College Kolkata, India where she received her B.Sc in Chemistry degree in the year 2018. She graduated from Indian Institute of Science Bangalore, India with a M.S degree in chemical sciences in the year 2021. She joined the group in 2022 and now works in developing multiconfigurational trial wavefunctions in studying the excited states of polyaromatic hydrocarbonsusing Quantum Monte Carlo Simulations.
Benjamin Avramidis
2nd-Year Graduate Student
bea60@pitt.edu
Office: Eberly Hall 332
Ben attended University of Massachusetts Amherst where he received a B.S in Chemistry in 2019. He then worked in the chemical manufacturing industry, joining our group in the Summer of 2021. Ben currently researches the multi-configurational character of C20 isomers and the effects of dynamic vs. static electron correlation as well as essential and artificial spin symmetry breaking when considering appropriate trail wave-functions using methods in Quantum Monte Carlo. Ben is also working on ways to advance available methods in quantum computing and simulation in collaboration with researchers at the National Energy Technology Laboratory in Pittsburgh.
Amber D. Travis
Administrative Assistant
adt59@pitt.edu
Office: Eberly Hall 326


Former Group Members (1985-Present)

Recent Graduates

  • Elva Henderson, Ph.D., 2022
  • Arailym Kairalapova, Ph.D., 2020
  • Kevin Gasperich, Ph.D., 2019
  • Kaye A. Archer, Ph.D., 2019
  • Tuguldur Togo Odbadrakh, Ph.D., 2018
  • 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, M.S., 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
  • 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

  • Jakub Brzeski, 2021-2022
  • Kaushik 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

  • Tae Hoon Cho, 2017-2021
  • Emanuele Curotto, 2015-2016
  • Masumeh Fourotan, 2011-2012
  • Wissam Al-Saidi, 2009-2012
  • Mike Falcetta, 2007-2009
  • Thomas Sommerfeld, 2005-2012

Visiting Students

  • Roman Fanta (Univ. Ostrava, Czech Republic), 2022
  • 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

  • Jonah Ruschak, 2022
  • Matthew Chow, 2019-2020
  • Andrew Gabriel, 2019
  • Virat Reddy, 2018
  • 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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