John Parkhill

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Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, BerkeleyAdresse e-mail validée de cchem.berkeley.edu
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Adresse e-mail validée de utoronto.ca
Masaru KunoProfessor of Chemistry and Biochemistry, University of Notre DameAdresse e-mail validée de nd.edu
Sergiu DragutaUniversity of Notre DameAdresse e-mail validée de lanl.gov
Sergei RouvimovResearch Associate Professor, University of Notre DameAdresse e-mail validée de nd.edu
Narbe MardirossianTerray Therapeutics; Amgen; California Institute of Technology; University of California, BerkeleyAdresse e-mail validée de berkeley.edu
Thomas MarkovichResearcher, Cash AppAdresse e-mail validée de twitter.com
Susi LehtolaUniversity of Helsinki, FinlandAdresse e-mail validée de alumni.helsinki.fi
Zachary D. SchultzProfessor of Chemistry and Biochemistry, The Ohio State UniversityAdresse e-mail validée de osu.edu
Hao WangNew York UniversityAdresse e-mail validée de nyulangone.org
Dmitrij RappoportUniversity of California, IrvineAdresse e-mail validée de uci.edu
Timothy J. LeeNASA Ames Research CenterAdresse e-mail validée de nasa.gov
Jarrod R. McCleanSenior Staff Research Scientist - GoogleAdresse e-mail validée de google.com
Jacob SandersNIH Postdoctoral Scholar, University of California, Los AngelesAdresse e-mail validée de chem.ucla.edu
Xavier AndradeLawrence Livermore National LaboratoryAdresse e-mail validée de llnl.gov
Jeng-Da Chai (蔡政達)Professor, Department of Physics, National Taiwan UniversityAdresse e-mail validée de phys.ntu.edu.tw
Triet FriedhoffIBM Quantum (past: Air Force Research Lab, University of Notre Dame)Adresse e-mail validée de ibm.com
Ryan BabbushHead of Quantum Algorithms - GoogleAdresse e-mail validée de google.com

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John Parkhill

The University of Notre Dame

Adresse e-mail validée de nd.edu - Page d'accueil

Quantum Chemistry


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015	3018	2015
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021	637	2021
The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics K Yao, JE Herr, DW Toth, R Mckintyre, J Parkhill Chemical science 9 (8), 2261-2269, 2018	439	2018
Origin of the Size-Dependent Stokes Shift in CsPbBr₃ Perovskite Nanocrystals MC Brennan, JE Herr, TS Nguyen-Beck, J Zinna, S Draguta, S Rouvimov, ... Journal of the American Chemical Society 139 (35), 12201-12208, 2017	282	2017
The Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks K Yao, J Parkhill J. Chem. Theory Comput. 12 (3), 1139–1147, 2015	128	2015
Intrinsic bond energies from a bonds-in-molecules neural network K Yao, JE Herr, SN Brown, J Parkhill The journal of physical chemistry letters 8 (12), 2689-2694, 2017	122	2017
The many-body expansion combined with neural networks K Yao, JE Herr, J Parkhill The Journal of chemical physics 146 (1), 2017	111	2017
Benchmark results for empirical post-GGA functionals: Difficult exchange problems and independent tests N Mardirossian, JA Parkhill, M Head-Gordon Physical Chemistry Chemical Physics 13 (43), 19325-19337, 2011	96	2011
Metadynamics for training neural network model chemistries: A competitive assessment JE Herr, K Yao, R McIntyre, DW Toth, J Parkhill The Journal of chemical physics 148 (24), 2018	71	2018
The perfect quadruples model for electron correlation in a valence active space JA Parkhill, K Lawler, M Head-Gordon The Journal of chemical physics 130 (8), 2009	71	2009
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 Rhee Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Chem. Commun 54, 6883-6886, 2018	54	2018
Near-infrared spectroscopy of nitrogenated polycyclic aromatic hydrocarbon cations from 0.7 to 2.5 μm AL Mattioda, L Rutter, J Parkhill, M Head-Gordon, TJ Lee, LJ Allamandola The Astrophysical Journal 680 (2), 1243, 2008	51	2008
Nonadiabatic dynamics for electrons at second-order: Real-time TDDFT and OSCF2 TS Nguyen, J Parkhill Journal of chemical theory and computation 11 (7), 2918-2924, 2015	44	2015
A tractable and accurate electronic structure method for static correlations: The perfect hextuples model JA Parkhill, M Head-Gordon The Journal of chemical physics 133 (2), 2010	43	2010
Feynman’s clock, a new variational principle, and parallel-in-time quantum dynamics JR McClean, JA Parkhill, A Aspuru-Guzik Proceedings of the National Academy of Sciences 110 (41), E3901-E3909, 2013	42	2013
Feynman’s clock, a new variational principle, and parallel-in-time quantum dynamics JR McClean, JA Parkhill, A Aspuru-Guzik Proceedings of the National Academy of Sciences 110 (41), E3901-E3909, 2013	42	2013
Feynman’s clock, a new variational principle, and parallel-in-time quantum dynamics JR McClean, JA Parkhill, A Aspuru-Guzik Proceedings of the National Academy of Sciences 110 (41), E3901-E3909, 2013	42	2013
Black-box, real-time simulations of transient absorption spectroscopy TS Nguyen, JH Koh, S Lefelhocz, J Parkhill The Journal of Physical Chemistry Letters 7 (8), 1590-1595, 2016	39	2016
A truncation hierarchy of coupled cluster models of strongly correlated systems based on perfect-pairing references: The singles+ doubles models JA Parkhill, M Head-Gordon The Journal of chemical physics 133 (12), 2010	39	2010
Detection of electron tunneling across plasmonic nanoparticle–film junctions using nitrile vibrations H Wang, K Yao, JA Parkhill, ZD Schultz Physical Chemistry Chemical Physics 19 (8), 5786-5796, 2017	33	2017

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