Jacek Jakowski

Citované v

	Všetky	Od 2019
Citácie	3208	2177
h-index	27	19
i10-index	41	31

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130

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200620072008200920102011201220132014201520162017201820192020202120222023202416 22 41 40 44 62 90 61 120 106 110 128 145 153 231 407 456 501 424

Verejný prístup

všetky položky

33 článkov

5 článkov

dostupné

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Na základe mandátov na financovanie

Spoluautori

Bobby G. SumpterOak Ridge National LaboratoryOverená e-mailová adresa na: ornl.gov
Jingsong HuangOak Ridge National LaboratoryOverená e-mailová adresa na: ornl.gov
Sophya GarashchukOverená e-mailová adresa na: chem.sc.edu
Jong KeumOak Ridge National LaboratoryOverená e-mailová adresa na: ornl.gov
Stephan IrleOak Ridge National LaboratoryOverená e-mailová adresa na: ornl.gov
Kunlun HongOak Ridge National Laboratory or University of Alabama at Birmingham or University of Science andOverená e-mailová adresa na: ornl.gov
Travis HumbleOak Ridge National LaboratoryOverená e-mailová adresa na: ornl.gov
Grzegorz ChalasinskiFaculty of Chemistry, University of WarsawOverená e-mailová adresa na: chem.uw.edu.pl
ilia n. ivanovSenior Research Scientist, Center for Nanophase Materials Sciences, Oak Ridge National LaboratoryOverená e-mailová adresa na: ornl.gov
Kai XiaoCenter for Nanophase Materials Sciences, Oak Ridge National LaboratoryOverená e-mailová adresa na: ornl.gov
David B. GeoheganCenter for Nanophase Materials Sciences, Oak Ridge National LaboratoryOverená e-mailová adresa na: ornl.gov
Predrag KrsticTheoretiK consulting & Institute for Advanced Computational Science, Stony Brook University, NewOverená e-mailová adresa na: stonybrook.edu
Olga S. OvchinnikovaDirector of Systems Engineering, Thermo Fisher ScientificOverená e-mailová adresa na: thermofisher.com
Alex BelianinovR&D Principal ScientistOverená e-mailová adresa na: sandia.gov
Raymond R. UnocicAssociate Professor of Materials Science and Engineering, North Carolina State UniversityOverená e-mailová adresa na: ncsu.edu
Thomas KjærgaardPost Doc, qLEAP center for theoretical chemistry, Aarhus UniversityOverená e-mailová adresa na: chem.au.dk
Kasper KristensenPost Doc, Aarhus UniversityOverená e-mailová adresa na: chem.au.dk
Sergei V. KalininWeston Fulton Chair Professor, UT Knoxville. Chief Scientist, AI/ML for Physical Sciences, PNNLOverená e-mailová adresa na: utk.edu
Chase N. Taylor, Ph.D.Idaho National LaboratoryOverená e-mailová adresa na: inl.gov
Jean Paul AllainAssociate Director for Fusion Energy Sciences at DOE; Huck Chair Professor Penn State (on leave)Overená e-mailová adresa na: psu.edu

Sledovať

Jacek Jakowski

Oak Ridge National Laboratory

Overená e-mailová adresa na: ornl.gov - Domovská stránka

quantum chemistry dynamics materials science quantum computing


Názov Zoradiť podľa citácií Zoradiť podľa roka Zoradiť podľa názvu	Citované v Citované v	Rok
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations B Hourahine, B Aradi, V Blum, F Bonafe, A Buccheri, C Camacho, ... The Journal of chemical physics 152 (12), 2020	862	2020
Catalytic hydrodeoxygenation of methyl-substituted phenols: Correlations of kinetic parameters with molecular properties FE Massoth, P Politzer, MC Concha, JS Murray, J Jakowski, J Simons The Journal of Physical Chemistry B 110 (29), 14283-14291, 2006	257	2006
Quantum chemistry as a benchmark for near-term quantum computers AJ McCaskey, ZP Parks, J Jakowski, SV Moore, TD Morris, TS Humble, ... npj Quantum Information 5 (1), 99, 2019	201	2019
Identification of site-specific isotopic labels by vibrational spectroscopy in the electron microscope JA Hachtel, J Huang, I Popovs, S Jansone-Popova, JK Keum, J Jakowski, ... Science 363 (6426), 525-528, 2019	182	2019
The isotopic effects of deuteration on optoelectronic properties of conducting polymers M Shao, J Keum, J Chen, Y He, W Chen, JF Browning, J Jakowski, ... Nature communications 5 (1), 3180, 2014	147	2014
Enhancing ion migration in grain boundaries of hybrid organic–inorganic perovskites by chlorine B Yang, CC Brown, J Huang, L Collins, X Sang, RR Unocic, S Jesse, ... Advanced Functional Materials 27 (26), 1700749, 2017	87	2017
Hydrogen tunneling in an enzyme active site: A quantum wavepacket dynamical perspective SS Iyengar, I Sumner, J Jakowski The Journal of Physical Chemistry B 112 (25), 7601-7613, 2008	87	2008
Theoretical Analysis of the Electronic Structure and Bonding Stability of the TCNE Dimer Dianion (TCNE)₂²^- J Jakowski, J Simons Journal of the American Chemical Society 125 (51), 16089-16096, 2003	76	2003
MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme K Kristensen, IM Høyvik, B Jansik, P Jørgensen, T Kjærgaard, S Reine, ... Physical Chemistry Chemical Physics 14 (45), 15706-15714, 2012	73	2012
Quantum wave packet ab initio molecular dynamics: An approach to study quantum dynamics in large systems SS Iyengar, J Jakowski The Journal of chemical physics 122 (11), 2005	73	2005
Implementation and benchmark tests of the DFTB method and its application in the ONIOM method G Zheng, M Lundberg, J Jakowski, T Vreven, MJ Frisch, K Morokuma International Journal of Quantum Chemistry 109 (9), 1841-1854, 2009	71	2009
Deuterium uptake in magnetic-fusion devices with lithium-conditioned carbon walls PS Krstic, JP Allain, CN Taylor, J Dadras, S Maeda, K Morokuma, ... Physical review letters 110 (10), 105001, 2013	63	2013
Liouville–von Neumann molecular dynamics J Jakowski, K Morokuma The Journal of chemical physics 130 (22), 2009	57	2009
Deuteration and polymers: rich history with great potential L Li, J Jakowski, C Do, K Hong Macromolecules 54 (8), 3555-3584, 2021	53	2021
Non-Transition-Metal Catalytic System for N₂ Reduction to NH₃: A Density Functional Theory Study of Al-Doped Graphene YH Tian, S Hu, X Sheng, Y Duan, J Jakowski, BG Sumpter, J Huang The Journal of Physical Chemistry Letters 9 (3), 570-576, 2018	51	2018
The divide–expand–consolidate MP2 scheme goes massively parallel K Kristensen, T Kjaergaard, IM Høyvik, P Ettenhuber, P Jørgensen, ... Molecular Physics 111 (9-11), 1196-1210, 2013	49	2013
Possible mechanisms for protecting NCα bonds in helical peptides from electron-capture (or transfer) dissociation P Skurski, M Sobczyk, J Jakowski, J Simons International Journal of Mass Spectrometry 265 (2-3), 197-212, 2007	49	2007
Computational improvements to quantum wave packet ab initio molecular dynamics using a potential-adapted, time-dependent deterministic sampling technique J Jakowski, I Sumner, SS Iyengar Journal of chemical theory and computation 2 (5), 1203-1219, 2006	47	2006
Benchmarking quantum chemistry computations with variational, imaginary time evolution, and Krylov space solver algorithms K Yeter‐Aydeniz, BT Gard, J Jakowski, S Majumder, GS Barron, G Siopsis, ... Advanced Quantum Technologies 4 (7), 2100012, 2021	41	2021
Collision-induced fusion of two fullerenes: Quantum chemical molecular dynamics simulations J Jakowski, S Irle, K Morokuma Physical Review B—Condensed Matter and Materials Physics 82 (12), 125443, 2010	39	2010

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