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Sharon Hammes-Schiffer

Affiliations: 
2000-2012 Pennsylvania State University, State College, PA, United States 
 2012- Chemistry University of Illinois, Urbana-Champaign, Urbana-Champaign, IL 
Area:
theoretical and computational methods for describing chemical reactions in condensed phases and at interfaces
Website:
http://www.chemistry.illinois.edu/faculty/Sharon_Hammes_Schiffer.html
Google:
"Sharon Hammes-Schiffer"
Bio:

http://www.nasonline.org/member-directory/members/20029830.html
http://hammes-schiffer-group.org/wp-content/uploads/2017/06/shscv17.pdf
http://www.scs.illinois.edu/schiffer/
http://searchworks-lb.stanford.edu/view/2780586
http://scholar.google.com/citations?user=-lcjOJAAAAAJ&hl=en

Mean distance: 8.57
 
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Parents

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Hans C. Andersen grad student 1993 Stanford
 (Quantum electronic structure methods for simulation of materials and Hartree-Fock calculations of crystalline systems)
John Charles Tully post-doc 1993-1995 Bell Labs

Children

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Helene Y. Decornez grad student 2001 Penn State
Pratul K. Agarwal grad student 2002 Penn State
Tzvetelin D. Iordanov grad student 2003 Penn State
Nedialka I. Iordanova grad student 2003 Penn State
Elizabeth Hatcher grad student 2006 Penn State
Chet Swalina grad student 2006 Penn State
James B. Watney grad student 2006 Penn State
Yolanda A. Small grad student 2007 Penn State
Malika D. Kumarasiri grad student 2009 Penn State
Dhruva K. Chakravorty grad student 2010 Penn State
Michelle K. Ludlow grad student 2010 Penn State
Narayanan Veeraraghavan grad student 2011 Penn State
Laura E. Fernandez grad student 2013 Penn State
Abir Ganguly grad student 2014 UIUC
Andrew R. Sirjoosingh grad student 2014 UIUC
Brian H. Solis grad student 2014 UIUC
Sixue Zhang grad student 2016 UIUC
Aparna Harshan grad student 2017 UIUC
Mioy Huynh grad student 2017 UIUC
Tanner Culpitt grad student 2019 UIUC
David R Stevens grad student 2015-2020 Yale
Patrick Schneider grad student 2016-2021 Yale
Zhen Tao grad student 2016-2021 Yale
Melek Nihan Ucisik post-doc 2014- UIUC
Simon P. Webb post-doc 2001 Penn State
andres reyes post-doc 2003-2005 Penn State
Arindam Chakraborty post-doc 2006-2009 Penn State
Anirban Hazra post-doc 2006-2011 Penn State
Joshua P. Layfield post-doc 2012-2014 UIUC
Puja Goyal post-doc 2017 UIUC
Soumya Ghosh post-doc 2013-2017 UIUC
Joshua Goings post-doc 2020 Yale
Pengfei Li post-doc 2020 Yale (E-Tree)
Pengfei Li post-doc 2016-2020 Yale
Alexander V Soudackov research scientist 1998- Yale

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Publications

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Li TE, Li X, Hammes-Schiffer S. (2025) Energy conservation in real-time nuclear-electronic orbital Ehrenfest dynamics. The Journal of Chemical Physics. 162
Hammes-Schiffer S. (2025) Explaining Kinetic Isotope Effects in Proton-Coupled Electron Transfer Reactions. Accounts of Chemical Research
Malbon CL, Hammes-Schiffer S. (2025) Nuclear-Electronic Orbital Multireference Configuration Interaction for Ground and Excited Vibronic States and Fundamental Insights into Multicomponent Basis Sets. Journal of Chemical Theory and Computation
Garner SM, Upadhyay S, Li X, et al. (2025) Time-resolved vibronic spectra with nuclear-electronic orbital time-dependent configuration interaction. The Journal of Chemical Physics. 162
Zhong J, Zhu Q, Soudackov AV, et al. (2025) Hydrogen Tunneling and Conformational Motions in Nonadiabatic Proton-Coupled Electron Transfer between Interfacial Tyrosines in Ribonucleotide Reductase. Journal of the American Chemical Society. 147: 4459-4468
Chow M, Reinhardt CR, Hammes-Schiffer S. (2024) Nuclear Quantum Effects in Quantum Mechanical/Molecular Mechanical Free Energy Simulations of Ribonucleotide Reductase. Journal of the American Chemical Society
Xu J, Zhou R, Li TE, et al. (2024) Lagrangian formulation of nuclear-electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems. The Journal of Chemical Physics. 161
Odella E, Fetherolf JH, Secor M, et al. (2024) When a Twist Makes a Difference: Exploring PCET and ESIPT on a Nonplanar Hydrogen-Bonded Donor-Acceptor System. The Journal of Physical Chemistry Letters. 10835-10841
Reinhardt CR, Sayfutyarova ER, Zhong J, et al. (2024) Correction to "Glutamate Mediates Proton-Coupled Electron Transfer Between Tyrosines 730 and 731 in Ribonucleotide Reductase". Journal of the American Chemical Society
Guerra WD, Odella E, Cui K, et al. (2024) The role of an intramolecular hydrogen bond in the redox properties of carboxylic acid naphthoquinones. Chemical Science
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