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Richard G. Hennig, Ph.D. - Publications

Affiliations: 
2000 Washington University, Saint Louis, St. Louis, MO 
 1990-1992 Physik Universität Rostock, Rostock, Mecklenburg-Vorpommern, Germany 
 1992-1996 Physik Georg-August-Universität Göttingen, Göttingen, Niedersachsen, Germany 
 2001-2006 Physics Ohio State University, Columbus, Columbus, OH 
 2006-2014 Materials Science and Engineering Cornell University, Ithaca, NY, United States 
 2014- Materials Science and Engineering University of Florida, Gainesville, Gainesville, FL, United States 
Area:
Condensed Matter Physics
Website:
http://hennig.mse.ufl.edu
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Year Citation  Score
2021 Boeri L, Hennig RG, Hirschfeld PJ, Profeta G, Sanna A, Zurek E, Pickett WE, Amsler M, Dias R, Eremets M, Heil C, Hemley R, Liu H, Ma Y, Pierleoni C, et al. The 2021 Room-Temperature Superconductivity Roadmap. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 34544070 DOI: 10.1088/1361-648X/ac2864  0.752
2021 Li Q, Kolluru VSC, Rahn MS, Schwenker E, Li S, Hennig RG, Darancet P, Chan MKY, Hersam MC. Synthesis of borophane polymorphs through hydrogenation of borophene. Science (New York, N.Y.). 371: 1143-1148. PMID 33707261 DOI: 10.1126/science.abg1874  0.414
2020 Tan AMZ, Freysoldt C, Hennig RG. Stability of charged sulfur vacancies in 2D and bulk MoS2 from plane-wave density functional theory with electrostatic corrections Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.064004  0.381
2020 Paul JT, Singh AK, Dong Z, Zhuang HL, Revard BC, Rijal B, Ashton M, Linscheid A, Blonsky M, Gluhovic D, Guo J, Hennig RG. Corrigendum: Computational methods for 2D materials: discovery, property characterization, and application design (2017 J. Phys.: Condens. Matter 29 473001) Journal of Physics: Condensed Matter. 32: 159501. DOI: 10.1088/1361-648X/Ab5768  0.771
2020 Honrao SJ, Xie SR, Hennig RG. Augmenting machine learning of energy landscapes with local structural information Journal of Applied Physics. 128: 85101. DOI: 10.1063/5.0012407  0.766
2020 Zhu L, Honrao S, Rijal B, Hennig RG, Manuel MV. Phase equilibria and diffusion coefficients in the Fe-Zn binary system Materials & Design. 188: 108437. DOI: 10.1016/J.Matdes.2019.108437  0.77
2020 Zhu L, Soto-Medina S, Hennig RG, Manuel MV. Experimental investigation of the Al–Co–Fe phase diagram over the whole composition range Journal of Alloys and Compounds. 815: 152110. DOI: 10.1016/J.Jallcom.2019.152110  0.31
2020 Xie SR, Kotlarz P, Hennig RG, Nino JC. Machine learning of octahedral tilting in oxide perovskites by symbolic classification with compressed sensing Computational Materials Science. 180: 109690. DOI: 10.1016/J.Commatsci.2020.109690  0.757
2019 Mathew K, Kolluru VSC, Mula S, Steinmann SN, Hennig RG. Implicit self-consistent electrolyte model in plane-wave density-functional theory. The Journal of Chemical Physics. 151: 234101. PMID 31864239 DOI: 10.1063/1.5132354  0.651
2019 Goyal A, Mathew K, Hennig RG, Chernatynskiy A, Stanek CR, Murphy ST, Andersson DA, Phillpot SR, Uberuaga BP. The Conundrum of Relaxation Volumes in First-Principles Calculations of Charged Defects in UO2 Applied Sciences. 9: 5276. DOI: 10.3390/App9245276  0.636
2019 Xie SR, Stewart GR, Hamlin JJ, Hirschfeld PJ, Hennig RG. Functional form of the superconducting critical temperature from machine learning Physical Review B. 100. DOI: 10.1103/Physrevb.100.174513  0.754
2019 Ashton M, Trometer N, Mathew K, Suntivich J, Freysoldt C, Sinnott SB, Hennig RG. Correction to “Predicting the Electrochemical Synthesis of 2D Materials from First-Principles” The Journal of Physical Chemistry C. 123: 22690-22690. DOI: 10.1021/Acs.Jpcc.9B07353  0.637
2019 Ashton M, Trometer N, Mathew K, Suntivich J, Freysoldt C, Sinnott SB, Hennig RG. Predicting the Electrochemical Synthesis of 2D Materials from First Principles The Journal of Physical Chemistry C. 123: 3180-3187. DOI: 10.1021/Acs.Jpcc.8B10802  0.657
2019 Honrao S, Anthonio BE, Ramanathan R, Gabriel JJ, Hennig RG. Machine learning of ab-initio energy landscapes for crystal structure predictions Computational Materials Science. 158: 414-419. DOI: 10.1016/J.Commatsci.2018.08.041  0.796
2018 Barr JA, Lin F, Ashton M, Hennig RG, Sinnott SB. High-throughput density functional calculations to optimize properties and interfacial chemistry of piezoelectric materials Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.025002  0.346
2018 Nelson A, Honrao S, Hennig RG, Robinson RD. Nanocrystal Symmetry Breaking and Accelerated Solid-State Diffusion in the Lead–Cadmium Sulfide Cation Exchange system Chemistry of Materials. 31: 991-1005. DOI: 10.1021/Acs.Chemmater.8B04490  0.779
2018 Esters M, Hennig RG, Johnson DC. Insights into the Charge-Transfer Stabilization of Heterostructure Components with Unstable Bulk Analogs Chemistry of Materials. 30: 4738-4747. DOI: 10.1021/Acs.Chemmater.8B01594  0.346
2018 Gabriel JJ, Xie S, Choudhary K, Sexton M, Phillpot SR, Xue J, Hennig RG. Candidate replacements for lead in CH3NH3PbI3 from first principles calculations Computational Materials Science. 155: 69-73. DOI: 10.1016/J.Commatsci.2018.08.015  0.761
2017 Paul J, Singh AK, Dong Z, Zhuang H, Revard BC, Rijal B, Ashton M, Linscheid A, Blonsky MN, Gluhovic D, Guo J, Hennig RG. Computational methods for 2D materials: Discovery, property characterization, and application design. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29022886 DOI: 10.1088/1361-648X/Aa9305  0.777
2017 Zhang D, Ashton M, Ostadhossein A, van Duin ACT, Hennig RG, Sinnott SB. Computational Study of Low Interlayer Friction in Tin+1Cn (n=1, 2 and 3) MXene. Acs Applied Materials & Interfaces. PMID 28884568 DOI: 10.1021/Acsami.7B09895  0.329
2017 Ditto J, Merrill DR, Mitchson G, Gabriel JJ, Mathew K, Hennig RG, Johnson DC, Medlin DL, Browning ND. Interface-Driven Structural Distortions and Composition Segregation in 2D Heterostructures. Angewandte Chemie (International Ed. in English). PMID 28879685 DOI: 10.1002/Anie.201707270  0.762
2017 Ashton M, Gluhovic D, Sinnott SB, Guo J, Stewart DA, Hennig RG. Two-Dimensional Half-Metals With Large Spin Gaps. Nano Letters. PMID 28745061 DOI: 10.1021/Acs.Nanolett.7B01367  0.339
2017 Ashton M, Paul J, Sinnott SB, Hennig RG. Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials. Physical Review Letters. 118: 106101. PMID 28339265 DOI: 10.1103/Physrevlett.118.106101  0.771
2017 Choudhary K, Congo FY, Liang T, Becker C, Hennig RG, Tavazza F. Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface. Scientific Data. 4: 160125. PMID 28140407 DOI: 10.1038/Sdata.2016.125  0.352
2017 Zhuang HL, Johannes MD, Singh AK, Hennig RG. Doping-controlled phase transitions in single-layer MoS2 Physical Review B. 96. DOI: 10.1103/Physrevb.96.165305  0.599
2017 Singh AK, Revard BC, Ramanathan R, Ashton M, Tavazza F, Hennig RG. Genetic algorithm prediction of two-dimensional group-IV dioxides for dielectrics Physical Review B. 95. DOI: 10.1103/Physrevb.95.155426  0.763
2017 Hur K, Hennig RG, Wiesner U. Exploring Periodic Bicontinuous Cubic Network Structures with Complete Phononic Bandgaps The Journal of Physical Chemistry C. 121: 22347-22352. DOI: 10.1021/Acs.Jpcc.7B07267  0.323
2016 Ashton M, Hennig RG, Broderick SR, Rajan K, Sinnott SB. Computational discovery of stable M2AX phases Physical Review B - Condensed Matter and Materials Physics. 94. DOI: 10.1103/Physrevb.94.054116  0.361
2016 Zhuang HL, Kent PRC, Hennig RG. Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe3GeTe2 Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.134407  0.735
2016 Zhuang HL, Hennig RG. Stability and magnetism of strongly correlated single-layer VS2 Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.054429  0.626
2016 Revard BC, Tipton WW, Yesypenko A, Hennig RG. Grand-canonical evolutionary algorithm for the prediction of two-dimensional materials Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.054117  0.8
2016 Ashton M, Sinnott SB, Hennig RG. Computational discovery and characterization of polymorphic two-dimensional IV–V materials Applied Physics Letters. 109: 192103. DOI: 10.1063/1.4967433  0.362
2016 Lin FY, Chernatynskiy A, Nino JC, Jones JL, Hennig R, Sinnott SB. Role of composition and structure on the properties of metal/multifunctional ceramic interfaces Journal of Applied Physics. 120. DOI: 10.1063/1.4959074  0.322
2016 Ashton M, Hennig RG, Sinnott SB. Computational characterization of lightweight multilayer MXene Li-ion battery anodes Applied Physics Letters. 108. DOI: 10.1063/1.4939745  0.38
2016 Nelson A, Fritz KE, Honrao S, Hennig RG, Robinson RD, Suntivich J. Increased activity in hydrogen evolution electrocatalysis for partial anionic substitution in cobalt oxysulfide nanoparticles Journal of Materials Chemistry A. 4: 2842-2848. DOI: 10.1039/C5Ta08706F  0.783
2016 Liang T, Ashton M, Choudhary K, Zhang D, Fonseca AF, Revard BC, Hennig RG, Phillpot SR, Sinnott SB. Properties of Ti/TiC Interfaces from Molecular Dynamics Simulations Journal of Physical Chemistry C. 120: 12530-12538. DOI: 10.1021/Acs.Jpcc.6B02763  0.799
2016 Ashton M, Mathew K, Hennig RG, Sinnott SB. Predicted Surface Composition and Thermodynamic Stability of MXenes in Solution Journal of Physical Chemistry C. 120: 3550-3556. DOI: 10.1021/Acs.Jpcc.5B11887  0.661
2016 Mathew K, Singh AK, Gabriel JJ, Choudhary K, Sinnott SB, Davydov AV, Tavazza F, Hennig RG. MPInterfaces: A Materials Project based Python tool for high-throughput computational screening of interfacial systems Computational Materials Science. 122: 183-190. DOI: 10.1016/J.Commatsci.2016.05.020  0.66
2016 Choudhary K, Liang T, Mathew K, Revard B, Chernatynskiy A, Phillpot SR, Hennig RG, Sinnott SB. Dynamical properties of AlN nanostructures and heterogeneous interfaces predicted using COMB potentials Computational Materials Science. 113: 80-87. DOI: 10.1016/J.Commatsci.2015.11.025  0.794
2015 Ma L, Zhuang H, Wei S, Hendrickson KE, Kim MS, Cohn G, Hennig RG, Archer LA. Enhanced Li-S Batteries Using Amine-Functionalized Carbon Nanotubes in the Cathode. Acs Nano. PMID 26634409 DOI: 10.1021/Acsnano.5B06373  0.607
2015 Blonsky MN, Zhuang HL, Singh AK, Hennig RG. Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials. Acs Nano. 9: 9885-91. PMID 26312745 DOI: 10.1021/Acsnano.5B03394  0.718
2015 Singh AK, Mathew K, Zhuang HL, Hennig RG. Computational Screening of 2D Materials for Photocatalysis. The Journal of Physical Chemistry Letters. 6: 1087-98. PMID 26262874 DOI: 10.1021/Jz502646D  0.794
2015 Sakong S, Naderian M, Mathew K, Hennig RG, Groß A. Density functional theory study of the electrochemical interface between a Pt electrode and an aqueous electrolyte using an implicit solvent method. The Journal of Chemical Physics. 142: 234107. PMID 26093550 DOI: 10.1063/1.4922615  0.626
2015 Islam MM, Ostadhossein A, Borodin O, Yeates AT, Tipton WW, Hennig RG, Kumar N, van Duin AC. ReaxFF molecular dynamics simulations on lithiated sulfur cathode materials. Physical Chemistry Chemical Physics : Pccp. 17: 3383-93. PMID 25529209 DOI: 10.1039/C4Cp04532G  0.776
2015 Singh AK, Mathew K, Davydov AV, Hennig RG, Tavazza F. High throughput screening of substrates for synthesis and functionalization of 2D materials Proceedings of Spie - the International Society For Optical Engineering. 9553. DOI: 10.1117/12.2192866  0.739
2015 Zhuang HL, Cooper VR, Xu H, Ganesh P, Hennig RG, Kent PRC. Rashba effect in single-layer antimony telluroiodide SbTeI Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.115302  0.781
2015 Karkare S, Boulet L, Singh A, Hennig R, Bazarov I. Ab initiostudies of Cs on GaAs (100) and (110) surfaces Physical Review B. 91. DOI: 10.1103/Physrevb.91.035408  0.471
2015 Choudhary K, Chernatynskiy A, Mathew K, Bucholz EW, Phillpot SR, Sinnott SB, Hennig RG. Computational discovery of lanthanide doped and Co-doped Y3Al5O12 for optoelectronic applications Applied Physics Letters. 107. DOI: 10.1063/1.4929434  0.651
2015 Singh AK, Hennig RG, Davydov AV, Tavazza F. Al2O3 as a suitable substrate and a dielectric layer for n-layer MoS2 Applied Physics Letters. 107: 053106. DOI: 10.1063/1.4928179  0.525
2015 Casto LD, Clune AJ, Yokosuk MO, Musfeldt JL, Williams TJ, Zhuang HL, Lin MW, Xiao K, Hennig RG, Sales BC, Yan JQ, Mandrus D. Strong spin-lattice coupling in CrSiTe3 Apl Materials. 3. DOI: 10.1063/1.4914134  0.62
2015 Ma L, Wei S, Zhuang HL, Hendrickson KE, Hennig RG, Archer LA. Hybrid cathode architectures for lithium batteries based on TiS2 and sulfur Journal of Materials Chemistry A. 3: 19857-19866. DOI: 10.1039/C5Ta06348E  0.616
2015 Singh AK, Mathew K, Zhuang HL, Hennig RG. Computational screening of 2D materials for photocatalysis Journal of Physical Chemistry Letters. 6: 1087-1098. DOI: 10.1021/jz502646d  0.759
2015 Parker WD, Umrigar CJ, Alfè D, Petruzielo FR, Hennig RG, Wilkins JW. Comparison of polynomial approximations to speed up planewave-based quantum Monte Carlo calculations Journal of Computational Physics. 287: 77-87. DOI: 10.1016/J.Jcp.2015.01.037  0.76
2014 Ha DH, Caldwell AH, Ward MJ, Honrao S, Mathew K, Hovden R, Koker MK, Muller DA, Hennig RG, Robinson RD. Solid-solid phase transformations induced through cation exchange and strain in 2D heterostructured copper sulfide nanocrystals. Nano Letters. 14: 7090-9. PMID 25337657 DOI: 10.1021/Nl5035607  0.776
2014 Bian K, Singh AK, Hennig RG, Wang Z, Hanrath T. The nanocrystal superlattice pressure cell: a novel approach to study molecular bundles under uniaxial compression. Nano Letters. 14: 4763-6. PMID 25046038 DOI: 10.1021/Nl501905A  0.523
2014 Baumgardner WJ, Yu Y, Hovden R, Honrao S, Hennig RG, Abruña HD, Muller D, Hanrath T. Nanoparticle metamorphosis: an in situ high-temperature transmission electron microscopy study of the structural evolution of heterogeneous Au:Fe2O3 nanoparticles. Acs Nano. 8: 5315-22. PMID 24758698 DOI: 10.1021/Nn501543D  0.774
2014 Mathew K, Sundararaman R, Letchworth-Weaver K, Arias TA, Hennig RG. Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways. The Journal of Chemical Physics. 140: 084106. PMID 24588147 DOI: 10.1063/1.4865107  0.662
2014 Revard BC, Tipton WW, Hennig RG. Structure and stability prediction of compounds with evolutionary algorithms. Topics in Current Chemistry. 345: 181-222. PMID 24515753 DOI: 10.1007/128_2013_489  0.773
2014 Tipton WW, Drummond ND, Hennig RG. Importance of high-angular-momentum channels in pseudopotentials for quantum Monte Carlo Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.125110  0.755
2014 Singh AK, Zhuang HL, Hennig RG. Ab initio synthesis of single-layer III-V materials Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.245431  0.663
2014 Singh AK, Hennig RG. Computational synthesis of single-layer GaN on refractory materials Applied Physics Letters. 105: 051604. DOI: 10.1063/1.4892351  0.531
2014 Singh AK, Hennig RG. Computational prediction of two-dimensional group-IV mono-chalcogenides Applied Physics Letters. 105: 042103. DOI: 10.1063/1.4891230  0.403
2014 Zhuang HL, Johannes MD, Blonsky MN, Hennig RG. Computational prediction and characterization of single-layer CrS 2 Applied Physics Letters. 104. DOI: 10.1063/1.4861659  0.634
2014 Hernández-Burgos K, Burkhardt SE, Rodríguez-Calero GG, Hennig RG, Abruña HD. Theoretical studies of carbonyl-based organic molecules for energy storage applications: The heteroatom and substituent effect Journal of Physical Chemistry C. 118: 6046-6051. DOI: 10.1021/Jp4117613  0.356
2014 Tipton WW, Matulis CA, Hennig RG. Ab initio prediction of the Li5Ge2 Zintl compound Computational Materials Science. 93: 133-136. DOI: 10.1016/J.Commatsci.2014.06.014  0.775
2014 Zhuang HL, Hennig RG. Computational discovery, characterization, and design of single-layer materials Jom. 66: 366-374. DOI: 10.1007/S11837-014-0885-3  0.63
2014 Ma L, Zhuang H, Lu Y, Moganty SS, Hennig RG, Archer LA. Lithium-Sulfur Batteries: Tethered Molecular Sorbents: Enabling Metal-Sulfur Battery Cathodes (Adv. Energy Mater. 17/2014) Advanced Energy Materials. 4: n/a-n/a. DOI: 10.1002/Aenm.201470090  0.6
2014 Ma L, Zhuang H, Lu Y, Moganty SS, Hennig RG, Archer LA. Tethered molecular sorbents: Enabling metal-sulfur battery cathodes Advanced Energy Materials. 4. DOI: 10.1002/Aenm.201400390  0.607
2013 Tipton WW, Hennig RG. A grand canonical genetic algorithm for the prediction of multi-component phase diagrams and testing of empirical potentials. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 495401. PMID 24184679 DOI: 10.1088/0953-8984/25/49/495401  0.774
2013 Zhang H, Solomon LV, Ha DH, Honrao S, Hennig RG, Robinson RD. (NH4)2S, a highly reactive molecular precursor for low temperature anion exchange reactions in nanoparticles. Dalton Transactions (Cambridge, England : 2003). 42: 12596-9. PMID 23779083 DOI: 10.1039/C3Dt50803J  0.762
2013 Hwang J, Kim M, Campbell D, Alsalman HA, Kwak JY, Shivaraman S, Woll AR, Singh AK, Hennig RG, Gorantla S, Rümmeli MH, Spencer MG. van der Waals epitaxial growth of graphene on sapphire by chemical vapor deposition without a metal catalyst. Acs Nano. 7: 385-95. PMID 23244231 DOI: 10.1021/Nn305486X  0.515
2013 Zhuang HL, Hennig RG. Theoretical perspective of photocatalytic properties of single-layer SnS2 Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.115314  0.628
2013 Fishman M, Zhuang HL, Mathew K, Dirschka W, Hennig RG. Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.245402  0.728
2013 Tipton WW, Bealing CR, Mathew K, Hennig RG. Structures, phase stabilities, and electrical potentials of Li-Si battery anode materials Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.184114  0.806
2013 Zhuang HL, Singh AK, Hennig RG. Computational discovery of single-layer III-V materials Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.165415  0.642
2013 Zhuang HL, Hennig RG. Computational identification of single-layer CdO for electronic and optical applications Applied Physics Letters. 103. DOI: 10.1063/1.4831972  0.626
2013 Zhuang HL, Hennig RG. Computational search for single-layer transition-metal dichalcogenide photocatalysts Journal of Physical Chemistry C. 117: 20440-20445. DOI: 10.1021/Jp405808A  0.648
2013 Ha DH, Moreau LM, Honrao S, Hennig RG, Robinson RD. The oxidation of cobalt nanoparticles into Kirkendall-hollowed CoO and Co3O4: The diffusion mechanisms and atomic structural transformations Journal of Physical Chemistry C. 117: 14303-14312. DOI: 10.1021/Jp402939E  0.771
2013 Zhuang HL, Hennig RG. Single-layer group-III monochalcogenide photocatalysts for water splitting Chemistry of Materials. 25: 3232-3238. DOI: 10.1021/Cm401661X  0.623
2013 Burkhardt SE, Bois J, Tarascon JM, Hennig RG, Abruña HD. Li-carboxylate anode structure-property relationships from molecular modeling Chemistry of Materials. 25: 132-141. DOI: 10.1021/Cm302839Z  0.355
2012 Moreau LM, Ha DH, Bealing CR, Zhang H, Hennig RG, Robinson RD. Unintended phosphorus doping of nickel nanoparticles during synthesis with TOP: a discovery through structural analysis. Nano Letters. 12: 4530-9. PMID 22845819 DOI: 10.1021/Nl301642G  0.323
2012 Havener RW, Zhuang H, Brown L, Hennig RG, Park J. Angle-resolved Raman imaging of interlayer rotations and interactions in twisted bilayer graphene. Nano Letters. 12: 3162-7. PMID 22612855 DOI: 10.1021/Nl301137K  0.603
2012 Park H, Fellinger MR, Lenosky TJ, Tipton WW, Trinkle DR, Rudin SP, Woodward C, Wilkins JW, Hennig RG. Ab initio based empirical potential used to study the mechanical properties of molybdenum Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.214121  0.791
2012 Schwarz KA, Sundararaman R, Letchworth-Weaver K, Arias TA, Hennig RG. Framework for solvation in quantum Monte Carlo Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.201102  0.322
2012 Zhuang HL, Hennig RG. Electronic structures of single-layer boron pnictides Applied Physics Letters. 101. DOI: 10.1063/1.4758465  0.639
2012 Burkhardt SE, Lowe MA, Conte S, Zhou W, Qian H, Rodríguez-Calero GG, Gao J, Hennig RG, Abruña HD. Tailored redox functionality of small organics for pseudocapacitive electrodes Energy and Environmental Science. 5: 7176-7187. DOI: 10.1039/C2Ee21255B  0.336
2011 Hur K, Francescato Y, Giannini V, Maier SA, Hennig RG, Wiesner U. Three-dimensionally isotropic negative refractive index materials from block copolymer self-assembled chiral gyroid networks. Angewandte Chemie (International Ed. in English). 50: 11985-9. PMID 22006868 DOI: 10.1002/anie.201104888  0.331
2011 Ruiz-Vargas CS, Zhuang HL, Huang PY, van der Zande AM, Garg S, McEuen PL, Muller DA, Hennig RG, Park J. Softened elastic response and unzipping in chemical vapor deposition graphene membranes. Nano Letters. 11: 2259-63. PMID 21528894 DOI: 10.1021/Nl200429F  0.575
2011 Fredeman DJ, Tobash PH, Torrez MA, Thompson JD, Bauer ED, Ronning F, Tipton WW, Rudin SP, Hennig RG. Computationally driven experimental discovery of the CeIr4In compound Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.224102  0.777
2011 Bi W, Meng Y, Kumar RS, Cornelius AL, Tipton WW, Hennig RG, Zhang Y, Chen C, Schilling JS. Pressure-induced structural transitions in europium to 92 GPa Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.104106  0.756
2011 Burkhardt SE, Conte S, Rodriguez-Calero GG, Lowe MA, Qian H, Zhou W, Gao J, Hennig RG, Abruña HD. Towards organic energy storage: Characterization of 2,5-bis(methylthio) thieno[3,2-b]thiophene Journal of Materials Chemistry. 21: 9553-9563. DOI: 10.1039/C1Jm10664C  0.348
2011 Ha DH, Moreau LM, Bealing CR, Zhang H, Hennig RG, Robinson RD. The structural evolution and diffusion during the chemical transformation from cobalt to cobalt phosphide nanoparticles Journal of Materials Chemistry. 21: 11498-11510. DOI: 10.1039/C1Jm10337G  0.348
2011 Miura A, Lowe M, Leonard BM, Subban CV, Masubuchi Y, Kikkawa S, Dronskowski R, Hennig RG, Abrua HD, Disalvo FJ. Silver delafossite nitride, AgTaN2? Journal of Solid State Chemistry. 184: 7-11. DOI: 10.1016/J.Jssc.2010.10.009  0.313
2011 Parker WD, Wilkins JW, Hennig RG. Back Cover: Accuracy of quantum Monte Carlo methods for point defects in solids (Phys. Status Solidi B 2/2011) Physica Status Solidi (B). 248: n/a-n/a. DOI: 10.1002/Pssb.201190004  0.632
2011 Du YA, Lenosky TJ, Hennig RG, Goedecker S, Wilkins JW. Energy landscape of silicon tetra‐interstitials using an optimized classical potential Physica Status Solidi B-Basic Solid State Physics. 248: 2050-2055. DOI: 10.1002/Pssb.201147137  0.579
2010 Hennig RG, Wadehra A, Driver KP, Parker WD, Umrigar CJ, Wilkins JW. Phase transformation in Si from semiconducting diamond to metallicβ-Snphase in QMC and DFT under hydrostatic and anisotropic stress Physical Review B. 82. DOI: 10.1103/Physrevb.82.014101  0.759
2010 Ghasemi SA, Amsler M, Hennig RG, Roy S, Goedecker S, Lenosky TJ, Umrigar CJ, Genovese L, Morishita T, Nishio K. Energy landscape of silicon systems and its description by force fields, tight binding schemes, density functional methods, and quantum Monte Carlo methods Physical Review B. 81. DOI: 10.1103/Physrevb.81.214107  0.641
2010 Gregoire JM, Tague ME, Smith EH, Dale D, Disalvo FJ, Abruña HD, Hennig RG, Van Dover RB. Phase behavior of pseudobinary precious metal-carbide systems Journal of Physical Chemistry C. 114: 21664-21671. DOI: 10.1021/Jp1092465  0.311
2010 Burkhardt SE, Rodríguez-Calero GG, Lowe MA, Kiya Y, Hennig RG, Abruña HD. Theoretical and electrochemical analysis of poly(3,4- alkylenedioxythiophenes): Electron-donating effects and onset of p-doped conductivity Journal of Physical Chemistry C. 114: 16776-16784. DOI: 10.1021/Jp106082F  0.304
2010 Thornton K, Trinkle DR, Hennig RG. Applying for computational time on NSF's TeraGrid-the world's largest cyberinfrastructure supporting open research Jom. 62: 17-18. DOI: 10.1007/S11837-010-0042-6  0.594
2010 Parker WD, Wilkins JW, Hennig RG. Accuracy of quantum Monte Carlo methods for point defects in solids Physica Status Solidi (B). 248: 267-274. DOI: 10.1002/Pssb.201046149  0.675
2010 Tipton WW, Hennig RG. Random Search Methods Modern Methods of Crystal Structure Prediction. 55-66. DOI: 10.1002/9783527632831.ch3  0.709
2008 Feng J, Hennig RG, Ashcroft NW, Hoffmann R. Emergent reduction of electronic state dimensionality in dense ordered Li-Be alloys. Nature. 451: 445-8. PMID 18216850 DOI: 10.1038/Nature06442  0.334
2008 Hennig RG, Lenosky TJ, Trinkle DR, Rudin SP, Wilkins JW. Classical potential describes martensitic phase transformations between the α, β, and ω titanium phases Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.054121  0.72
2007 Umrigar CJ, Toulouse J, Filippi C, Sorella S, Hennig RG. Alleviation of the Fermion-sign problem by optimization of many-body wave functions. Physical Review Letters. 98: 110201. PMID 17501026 DOI: 10.1103/Physrevlett.98.110201  0.62
2007 Du YA, Hennig RG, Lenosky TJ, Wilkins JW. From compact point defects to extended structures in silicon The European Physical Journal B. 57: 229-234. DOI: 10.1140/Epjb/E2007-00176-5  0.513
2007 Umrigar CJ, Toulouse J, Filippi C, Sorella S, Hennig RG. Erratum: Alleviation of the Fermion-Sign Problem by Optimization of Many-Body Wave Functions [Phys. Rev. Lett.98, 110201 (2007)] Physical Review Letters. 99. DOI: 10.1103/Physrevlett.99.179902  0.577
2007 Hellmann W, Hennig RG, Goedecker S, Umrigar CJ, Delley B, Lenosky T. Erratum: Questioning the existence of a unique ground-state structure for Si clusters [Phys. Rev. B75, 085411 (2007)] Physical Review B. 76. DOI: 10.1103/physrevb.76.159903  0.566
2007 Hellmann W, Hennig RG, Goedecker S, Umrigar CJ, Delley B, Lenosky T. Questioning the existence of a unique ground-state structure for Si clusters Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.085411  0.629
2006 Batista ER, Heyd J, Hennig RG, Uberuaga BP, Martin RL, Scuseria GE, Umrigar CJ, Wilkins JW. Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.121102  0.731
2006 Du YA, Hennig RG, Wilkins JW. Diffusion mechanisms for silicon di-interstitials Physical Review B. 73. DOI: 10.1103/Physrevb.73.245203  0.532
2006 Hennig RG, Majzoub EH, Kelton KF. Location and energy of interstitial hydrogen in the1∕1approximantW-TiZrNiof the icosahedralTiZrNiquasicrystal: Rietveld refinement of x-ray and neutron diffraction data and density-functional calculations Physical Review B. 73. DOI: 10.1103/Physrevb.73.184205  0.706
2006 Trinkle DR, Jones MD, Hennig RG, Rudin SP, Albers RC, Wilkins JW. Empirical tight-binding model for titanium phase transformations Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.094123  0.78
2006 Kelton KF, Hartzell JJ, Hennig RG, Huett VT, Takasaki A. Hydrogen storage in Ti–Zr and Ti–Hf-based quasicrystals Philosophical Magazine. 86: 957-964. DOI: 10.1080/14786430500300173  0.526
2005 Hennig RG, Trinkle DR, Bouchet J, Srinivasan SG, Albers RC, Wilkins JW. Impurities block the alpha to omega martensitic transformation in titanium. Nature Materials. 4: 129-33. PMID 15665839 DOI: 10.1038/Nmat1292  0.77
2005 Du YA, Barr SA, Hazzard KRA, Lenosky TJ, Hennig RG, Wilkins JW. Fast diffusion mechanism of silicon tri-interstitial defects Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.241306  0.535
2005 Trinkle DR, Hatch DM, Stokes HT, Hennig RG, Albers RC. Systematic pathway generation and sorting in martensitic transformations: Titanium α to ω Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.014105  0.721
2005 Hennig RG, Carlsson AE, Kelton KF, Henley CL. Ab initio Ti-Zr-Ni phase diagram predicts stability of icosahedral TiZrNi quasicrystals Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.144103  0.69
2005 Kim JY, Hennig R, Huett VT, Gibbons PC, Kelton KF. Hydrogen absorption in Ti-Zr-Ni quasicrystals and 1/1 approximants Journal of Alloys and Compounds. 404: 388-391. DOI: 10.1016/J.Jallcom.2005.02.089  0.543
2004 Richie DA, Kim J, Barr SA, Hazzard KR, Hennig R, Wilkins JW. Complexity of small silicon self-interstitial defects. Physical Review Letters. 92: 045501. PMID 14995383 DOI: 10.1103/Physrevlett.92.045501  0.722
2004 Gibbons PC, Hennig RG, Huett VT, Kelton KF. Ti-Zr-Ni and Ti-Hf-Ni quasicrystals and approximants as hydrogen storage alloys Journal of Non-Crystalline Solids. 334: 461-465. DOI: 10.1016/J.Jnoncrysol.2003.12.024  0.565
2003 Trinkle DR, Hennig RG, Srinivasan SG, Hatch DM, Jones MD, Stokes HT, Albers RC, Wilkins JW. New mechanism for the alpha to omega martensitic transformation in pure titanium. Physical Review Letters. 91: 025701. PMID 12906490 DOI: 10.1103/Physrevlett.91.025701  0.748
2003 Hennig RG, Kelton KF, Carlsson AE, Henley CL. Structure of the icosahedral Ti-Zr-Ni quasicrystal Physical Review B. 67. DOI: 10.1103/PhysRevB.67.134202  0.623
2003 Hennig RG, Kelton KF, Carlsson AE, Henley CL. Structure of the icosahedral Ti-Zr-Ni quasicrystal Physical Review B - Condensed Matter and Materials Physics. 67: 1342021-13420213. DOI: 10.1103/Physrevb.67.134202  0.685
2003 Majzoub EH, Hennig RG, Kelton KF. Rietveld refinement and ab initio calculations of a C14-like Laves phase in Ti-Zr-Ni Philosophical Magazine Letters. 83: 65-71. DOI: 10.1080/0950083021000045779  0.719
2002 Richie DA, Kim J, Hennig R, Hazzard K, Barr S, Wilkins JW. Large-Scale Molecular Dynamics Simulations of Interstitial Defect Diffusion in Silicon Mrs Proceedings. 731. DOI: 10.1557/Proc-731-W9.10  0.72
2002 Hennig RG, Fedders PA, Carlsson AE. Electronic structure of dangling bonds in amorphous silicon studied via a density-matrix functional method Physical Review B - Condensed Matter and Materials Physics. 66: 1952131-1952136. DOI: 10.1103/Physrevb.66.195213  0.567
2002 Belin-Ferré E, Hennig RG, Dankhazi Z, Sadoc A, Kim JY, Kelton KF. Theoretical and experimental investigation of the electronic structure of Ti–Zr–Ni and Ti–Zr–Ni:H alloys Journal of Alloys and Compounds. 342: 337-342. DOI: 10.1016/S0925-8388(02)00249-9  0.555
2001 Hennig RG, Carlsson AE. Density-matrix functional method for electronic properties of impurities Physical Review B. 63. DOI: 10.1103/Physrevb.63.115116  0.567
2000 Majzoub E, Hennig R, Kelton K, Gibbons P, Misture S. Fundamental Cluster and Hydrogen Sites in Ti-Zr-Ni Quasicrystals Mrs Proceedings. 643. DOI: 10.1557/Proc-643-K5.2  0.712
2000 Majzoub EH, Kim JY, Hennig RG, Kelton KF, Gibbons PC, Yelon WB. Cluster structure and hydrogen in Ti-Zr-Ni quasicrystals and approximants Materials Science and Engineering A. 294: 108-111. DOI: 10.1016/S0921-5093(00)01092-3  0.713
2000 Hennig RG, Majzoub EH, Carlsson AE, Kelton KF, Henley CL, Yelon WB, Misture S. Structural modelling of the Ti-Zr-Ni quasicrystal Materials Science and Engineering A. 294: 361-365. DOI: 10.1016/S0921-5093(00)01084-4  0.767
1997 Hennig RG, Teichler H. First-principles study on the stabilization of approximants to icosahedral titanium—3d-transition-metal quasicrystals by silicon and oxygen Philosophical Magazine A. 76: 1053-1064. DOI: 10.1080/01418619708200014  0.341
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