Journal Articles:  Google Scholar ORCID

2021

126. High entropy oxide relaxor ferroelectrics

Y. Sharma, M.-C. Lee, K. Pitike, K. Mishra, Q. Zheng, X. Gao, B. Musico, A. Mazza, R. S. Katiyar, V. Keppens, M. Brahlek, D. Yarotski, R. Prasankumar, A. Chen, V. R. Cooper, and T. Z. Ward (under review).

125. Computationally accelerated discovery of high entropy pyrochlore oxides

K. Pitike, A. Macias, M. Eisenbach, C. A. Bridges, V. R. Cooper (under review).

124. Hands-on with OWL: The Oak Ridge Wang-Landau Monte Carlo software suite

Y. W. Li, K. Pitike, M. Eisenbach and V. R. Cooper (under review).

123. Putting error bars on density functional theory

S. F. Yuk, I. Sargin, N. Meyer, J. T. Krogel, S. P. Beckman and V. R. Cooper (under review).

122. Insulating antiferromagnetism in VTe

D. S. Parker, L. D. Sanjeewa, X. Wang, V. R. Cooper, Y. Liu and A. S. Sefat (under review).

121. Diffusion quantum Monte Carlo study of halogen and chromium-halogen complexes

A. L. Dzubak, J. T. Krogel, V. R. Cooper, and F. A. Reboredo (under review).

120. Ferroelectric behavior in the PbZr0.5Ti0.5O3-BiCoO3-BiFeO3 system

D. S. Parker, S. F. Yuk and V. R. Cooper (under review).

119. Anomalous dielectric response at intermixed oxide heterointerfaces

V. R. Cooper, H. L. Zhuang, L. Zhang, P. Ganesh, H. Xu and P. R. C. Kent (under review: arXiv:1806.08382).

118. Unintended consequence of topochemical reduction of SrFeO3 to SrFeO2: Design of infinite layered-oxides New

T. Ferreira, S. R. Acharya, Y. W. Li, D. Parker, A. S. Sefat, V. R. Cooper Phys. Rev. Mater. accepted (2021)

117. Design and realization of Ohmic and Schottky interfaces for oxide electronics New

J. Zhang, Y.-Y. Pai, J. Lapano, A. R. Mazza, H. N. Lee, R. Moore, B. J. Lawrie, T. Z. Ward, G. Eres, V. R. Cooper, M. Brahlek Small Sci. (2021)

116. Design of tough adhesive from commodity thermoplastics through dynamic crosslinking New

Md. Rahman, C. Bowland, S. Ge, S. R. Acharya, S. Kim, V. R. Cooper, X. Chen, S. Irle, A. Sokolov, A. Savara and T. Saito Sci. Adv. 7 eabk2451 (2021)

115. Role of pairwise reactions on the synthesis of Li0.3La0.57TiO3 and the resulting structure-property correlations New

T. F. Malkowski, R. L. Sacci, R. D. McAuliffe, S. R. Acharya, V. R. Cooper, N. J. Dudney, G. M. Veith Inorg. Chem. 60 14831 (2021)

114. CrI3 revisited with a many-body ab-initio theoretical approach

T. Ichibha, A. Dzubak, J. T. Krogel, V. R. Cooper, F. A. Reboredo Phys. Rev. Materials 5 064006 (2021)

113. From molecules to solids: A vdW-DF-C09 case study of the mercury dihalides

V. R. Cooper, J. T. Krogel and K. J. Donald J. Phys. Chem. A 125 3978 (2021)

112. Probing the local site disorder and distortion in pyrochlore high-entropy oxides

B. Jiang, C. A. Bridges, R. R. Unocic, K. Pitike, V. R. Cooper, Y. Zhang, D.-Y. Lin and K. Page J. Am. Chem. Soc. 143 4193 (2021)

2020

110. Perspectives on van der Waals density functionals: The case of TiS2

J. T. Krogel, S. F. Yuk, P. R. C. Kent, V. R. Cooper J. Phys. Chem. 124 9867 (2020)

109. Predicting the phase stability of multi-component high entropy compounds

K. Pitike, S. KC, M. Eisenbach, C. A. Bridges, V. R. Cooper Chem. Mater. 32 7507 (2020)

108. Tuning the magnetic order in cleavable metal Fe5GeTe2

A. F. May, M.-H. Du, V. R. Cooper, and M. A. McGuire Phys. Rev. Mater. 4 074008 (2020)

107. On the elastic anisotropy of the entropy-stabilized oxide (Mg, Co, Ni, Cu, Zn)O

K. Pitike, A. Marquez-Rossy, A. Flores-Betancourt, D. X. Chen, S. KC, V. R. Cooper, and E. Lara-Curzio J. Appl. Phys. 128 015101 (2020)

106. Unexpected crystalline homogeneity from the disordered bond network in La(Cr0.2Mn0.2Fe0.2Co0.2Ni0.2)O3 films

M. Brahlek, A. R. Mazza, K. Pitike, E. Skoropata, J. Lapano, G. Eres, V. R. Cooper., T. Z. Ward Phys. Rev. Mater. 4 054407 (2020)

105. Emerging edge states on the surface of the epitaxial semimetal CuMnAs thin film

G. D. Nguyen, K. Pitike, P. Wadley, V. R. Cooper, M. Yoon T. Berlijn and A.-P. Li Appl. Phys. Lett. 116 061603 (2020)

2019

104. Self-assembled room temperature multiferroic BiFeO3-LiFe5O8 nanocomposites

Y. Sharma, R. Agarwal, L. Collins, Q. Zheng, A. V. Ievlev, R. P. Hermann, V. R. Cooper, S. KC, I. Ivanov, R. S. Katiyar, S. V. Kalinin, H. N. Lee, S. Hong and T. Z. Ward Adv. Funct. Mater. 30 1906849 (2019)

103. Intrinsic interfacial van der Waals monolayers and their effect on the high-temperature superconductor FeSe / SrTiO3

H. Sims, D. N. Leonard, A. Y. Birenbaum, Z. Ge, L. Li, V. R. Cooper, M. F. Chisholm and S. T. Pantelides Phys. Rev. B 100 144103 (2019)

102. Optical response of BiFeO3 films subjected to uniaxial strain

A. Herklotz, S. F. Rus, C. Sohn, S. KC, V. R. Cooper, E.-J. Guo and T. Z. Ward Phys. Rev. Mater. 3 094410 (2019)

101. Non-conventional mechanism of ferroelectric fatigue via cation migration

A. V. Ievlev, S. KC, R. Vasudvan, Y. Kim, X. Lu, M. Alexe, V. R. Cooper, S. V. Kalinin and O. S. Ovchinnikova Nat. Commun. 10 3064 (2019)

100. Tuning the oxygen electrocatalysis via strain on LaNiO3(001)

S. F. Yuk and V. R. Cooper Phys. Chem. Chem. Phys. 21 4738 (2019)

99. Electrical transition in isostructural VO2 thin-film heterostructures

A. Moatti, R. Sachan, V. R. Cooper, and J. Narayan Sci. Rep. 9 3009 (2019)

98. Discovery of ABO3 perovskites as thermal barrier coatings through high-throughput first principles calculations

Y. Liu, V. R. Cooper, B. Wang, H. Xiang, Q. Li, Y Gao, J. Yang, Y. Zhou, and B. Liu Mater. Res. Lett. 7 145 (2019)

2018

97. Symmetry-driven phonon chirality and transport in 1D and bulk Ba3N-derived materials

T. Pandey, C. A. Polanco, V. R. Cooper, D. S. Parker, and L. Lindsay Phys. Rev. B 241405(R) (2018)

96. Segregation driven tunable metal-insulator transition on magnetic semiconducting epitaxial manganite thin film surfaces

R. K. Vasudevan, H. Dixit, A. Tselev, L. Qiao, T. Meyer, V. R. Cooper, A. P. Baddorf, H. N. Lee, P. Ganesh and S. V. Kalinin Phys. Rev. Mater. 2 104418 (2018)

95. Oxygen vacancy formation energies in PbTiO3/SrTiO3 superlattice

L. Zhang, I. Bredesen, A. Y. Birenbaum P. R. C. Kent, V. R. Cooper, P. Ganesh and H. Xu Phys. Rev. Mater. 2 064409 (2018)

94. Anisotropic antiferromagnetic order in spin-orbit coupled trigonal lattice Ca2Sr2IrO6

J. Sheng, F. Ye, C. Hoffmann, V. R. Cooper, S. Okamoto, J. Terzic, H. Zheng, H. Zhao and G. Cao Phys. Rev. B 97 235116 (2018)

93. Dimensional control of defect dynamics in perovskite oxide superlattices

I. Bredeson, L. Zhang, P. R. C. Kent, V. R. Cooper and H. Xu Phys. Rev. Mater. 2 035401 (2018)

2017

92. High temperature magneto-structural transition in van der Waals-layered α-MoCl3

M. McGuire, J. Yan, P. Lampen-Kelley, A. May, V. R. Cooper, L. Lindsay, A. Puretzky L. Liang, S. KC, E. Cakmak, S. Calder and B. C. Sales Phys. Rev. Mater. 1 064001 (2017)

91. Continuum Model of Gas Uptake for Inhomogeneous Fluids

Y. Ihm, V. R. Cooper, L. Vlcek, P. Canepa, T. Thonhauser, J. H. Shim and J. R. Morris J. Phys. Chem. C 121 17625 (2017)

90. Symmetry driven control of optical properties of WO3 films

A. Herklotz, S. F. Rus, S. KC, V. R. Cooper, A. Huon, E.-J. Guo and T. Z. Ward APL Materials 5 066106 (2017)

89. Magnetic behavior and spin-lattice coupling in cleavable, van der Waals layered CrCl3 crystals

M. A. McGuire, G. Clark, S. KC, W. M. Chance, G. E. Jellison, Jr., V. R. Cooper, X. Xu and B. C. Sales Phys. Rev. Mater. 1 014001 (2017)

88. Electronic and magnetic properties of epitaxial SrRhO3 films

J. Nichols, S. F. Yuk, C. Sohn, H. Jeen, J. W. Freeland, V. R. Cooper and H. N. Lee Phys. Rev. B 95 245121 (2017)

87. The vdW-DF family of nonlocal exchange-correlation functionals

E. Schröder, V. R. Cooper, K. Berland, B. I. Lundqvist, P. Hyldgaard and T. Thonhauser Noncovalent interactions in quantum chemistry and physics: Theory and applications 241 (2017)

86. Noncovalent interactions in nanotechnology

V. R. Cooper, C. N. Lam, Y. Wang and B. G. Sumpter Noncovalent interactions in quantum chemistry and physics: Theory and applications 417 (2017)

85. Suppression of defects and deep levels using isoelectronic tungsten substitution in monolayer MoSe2

X. Li, A. A. Puretzky, X. Sang, S. KC, M. Tian, F. Ceballos, M. Mahjouri-Samani, K. Wang, R. R. Unocic, H. Zhao, G. Duscher, V. R. Cooper, C. Rouleau, D. B. Geohegan and K. Xiao Adv. Funct. Mater. 27 1603850 (2017)

84. Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe3

M. A. McGuire, V. O. Garlea, S. KC, V. R. Cooper, J. Yan, H. Cao and B. C. Sales Phys. Rev. B 95 144421 (2017)

83. Towards an accurate description of perovskite ferroelectrics: Exchange and correlation effects

S. F. Yuk, K. Pitike,S. Nakhmanson, M. Eisenbach, Y.-W. Li and V. R. Cooper Sci. Rep. 7 43482 (2017)

82. Forging Fast Ion Conducting Nanochannels With Swift Heavy Ions: The Correlated Role of Local Electronic and Atomic Structure

R. Sachan, V. R. Cooper, B. Liu, D. S. Aidhy, B. K. Voas, M. Lang, X. Ou, C. Trautmann, Y. Zhang, M. F. Chisholm and W. J. Weber J. Phys. Chem. C 121 975 (2017)

2016

81. Chloride-reinforced carbon nanofiber host as effective polysulfide traps in lithium-sulfur batteries

Y. Lu, H. L. Zhuang, K. Zhang, V. R. Cooper and Q. Li Adv. Sci. 3 1600175 (2016)

80. Oxygen vacancy diffusion in bulk SrTiO3 from density functional theory calculations

L. Zhang, B. Liu, H. Zhuang, P. R. C. Kent, V. R. Cooper, P. Ganesh and H. Xu Com. Mat. Sci. 118 309 (2016)

79. First principles materials design of novel functional oxides

V. R. Cooper, B. K. Voas, C. A. Bridges, J. R. Morris and S. P. Beckman J. Adv. Dielect. 6 1650011 (2016)

78. Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces

H. L. Zhuang, L. Zhang, H. Xu, P. R. C. Kent, P. Ganesh and V. R. Cooper Sci. Rep. 6 25452 (2016)

77. Constructing a magnetic handle for antiferromagnetic manganites

A. Glavic, H. Dixit, V. R. Cooper and A. A. Aczel Phys. Rev. B 93 140413(R) (2016)

76. Energy level alignment of self-assembled linear chains of benzenediamine on Au(111) from first principles

G. Li, T. Rangel, Z.-F. Liu, V. R. Cooper and J. B. Neaton Phys. Rev. B 93 125429 (2016)

75. Enhanced bifunctional oxygen catalysis in strained LaNiO3 perovskites

J. R. Petrie, V. R. Cooper, J. W. Freeland, T. L. Meyer, Z. Zhang, D. A. Lutterman and H. N. Lee J. Am. Chem. Soc. 138 2488 (2016)

2015

74. Recent advances in two-dimensional materials beyond graphene

G. R. Bhimanapati, Z. Lin, V. Meunier, Y. Jung, J. J. Cha, S. Das, D. Xiao, Y. Son, M. S. Strano, V. R. Cooper, L. Liang, S. G. Louie, E. Ringe, W. Zhou, B. G. Sumpter, H. Terrones, F. Xia, Y. Wang, J. Zhu, D. Akinwande, N. Alem, J. A. Schuller, R. E. Schaak, M. Terrones and J. A. Robinson ACS Nano 9 11509 (2015)

73. Visualization of electronic density

B. Grosso, V. R. Cooper, P. Pine, A. Hashibon, Y. Yaish and J. Adler Comput. Phys. Commun. 195 1 (2015)

72. Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of the d-band model

X. Yin, V. R. Cooper, H. H. Weitering and P. C. Snijders J. Phys. Chem. 119 23495 (2015)

71. Rashba effect in single-layer antimony telluroiodide SbTeI

H. L. Zhuang, V. R. Cooper, H. Xu, P. Ganesh, R. G. Hennig and P. R. C. Kent Phys. Rev. B 92 115302 (2015)

70. Stabilization of weak ferromagnetism by strong magnetic response to epitaxial strain in multiferroic BiFeO3

H. Dixit, J. H. Lee, J. Krogel, S. Okamoto and V. R. Cooper Sci. Rep. 5 12969 (2015)

69. Correlating local structure with electrochemical activity in Li2MnO3: A combined experimental and theoretical Raman spectroscopic investigation

R. E. Ruther, A. M. Pezeshki, H. Dixit, R. L. Sacci, V. R. Cooper, J. Nanda and G. M. Veith J. Phys. Chem. C 119 18022 (2015)

68. Understanding strain-induced phase transformations in BiFeO3 thin films

H. Dixit, C. Beekman, C. M. Schlepütz, W. Siemons, Y. Yang, N. Senabulya, R. Clarke, M. Chi, H. M. Christen and V. R. Cooper Adv. Sci. 2 1500041 (2015)

67. van der Waals forces in density functional theory: a review of the vdW-DF method

K. Berland, V. R. Cooper, K. Lee, E. Schröder, T. Thonhauser, P. Hyldgaard and B. I. Lundqvist Rep. Prog. Phys. 78 066501 (2015)

66. Segregation and trapping of oxygen vacancies near the SrTiO3 Σ3 (112) [110] tilt grain boundary

B. Liu, V. R. Cooper, Y. Zhang and W. J. Weber Acta Mat. 90 394 (2015)

65. Strain engineering of the electronic properties in δ-doped oxide superlattices

J. H. You, J. H. Lee, S. Okamoto, V. R. Cooper and H. N. Lee J. Phys. D: Appl. Phys. 48 085303 (2015)

64. Coupling of structure and magnetism in the two-dimensional ferromagnet CrI3

M. A. McGuire, H. Dixit, V. R. Cooper and B. C. Sales Chem. Mater. 27 612 (2015)

2014

63. Facet dependent disorder in pristine high voltage Lithium-Manganese-rich cathodes

H. Dixit, W. Zhou, J.-C. Idrobo, J. Nanda and V. R. Cooper ACS Nano 8 12710 (2014)

62. Transparent conducting oxides: A δ-doped superlattice approach

V. R. Cooper, S. S. A. Seo, S. Lee, J. S. Kim, W. S. Choi, S. Okamoto and H. N. Lee Sci. Rep. 4 6021 (2014)

61. Understanding the interactions between oxygen vacancies at SrTiO3 (001) surfaces

H. Zhuang, P. Ganesh, V. R. Cooper, H. Xu and P. R. C. Kent Phys. Rev. B 90 064106 (2014)

60. Special quasirandom structures to study the (K0.5Na0.5)NbO3 random alloy

B. K. Voas, T.-M. Usher, X. Liu, J. L. Jones, X. Tan, V. R. Cooper and S. P. Beckman Phys. Rev. B 90 024105 (2014)

59. Composition dependent intrinsic defect structures in SrTiO3

B. Liu, V. R. Cooper, H. Xu, H. Xiao, Y. Zhang and W. J. Weber Phys. Chem. Chem. Phys. 16 15590 (2014)

58. van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions

K. Berland, C. A. Arter, V. R. Cooper, K. Lee, B. I. Lundqvist, E. Schröder, T. Thonhauser and P. Hyldgaard J. Chem. Phys. 140 18A539 (2014)

57. Theoretical studies of the effects of Th and Ce additions to microstructural stability in Ir

F. W. Averill, J. R. Morris and V. R. Cooper Phil. Mag. 94 991 (2014)

56. Jeff=1/2 Mott spin-orbit insulating state close to the cubic limit in Ca4IrO6

S. Calder, G.-X Cao, S. Okamoto, J. W. Kim, V. R. Cooper, Z. Gai, B. C. Sales, M. D. Lumsden, D. Mandrus and A. D. Christianson Phys. Rev. B 89 081104 (R) (2014)

55. Thickness dependent carrier density at the surface of SrTiO3 (111) slabs

N. Sivadas, H. Dixit, V. R. Cooper and D. Xiao Phy. Rev. B 89 075303 (2014)

54. Microstructure-dependent gas adsorption: Accurate predictions of methane uptake in nanoporous carbons

Y. Ihm, V. R. Cooper, N. C. Gallego, C. I. Contescu and J. R. Morris J. Chem. Theory Comput. 10 1 (2014)

2013

53. Reversal of the lattice structure of SrCoOx epitaxial thin films using real-time optical spectroscopy and first-principles calculations

W. S. Choi, H. Jeen, J. H. Lee, S. S. A. Seo, V. R. Cooper, K. M. Rabe and H. N. Lee Phys. Rev. Lett. 111 097401 (2013)

52. Modern approaches to studying gas adsorption in nanoporous carbons

J. R. Morris, C. I. Contescu, M. F. Chisholm, V. R. Cooper, J. Guo, L. He, Y. Ihm, E. Mamontov, Y. B. Melnichenko, R. J. Olsen, S. Pennycook, M. B. Stone, H. Zhang and N. C. Gallego J. Mater. Chem. A 1 9341 (2013)

2012

51. La-driven morphotropic phase boundary in the Bi(Zn1/2Ti1/2)O3-La(Zn1/2Ti1/2)O3-PbTiO3 solid solution

V. R. Cooper, J. R. Morris, S. Takagi and D. J. Singh Chem. Mater. 24 4477 (2012)

50. Windowed carbon nanotubes for efficient CO2 removal

H Liu, V. R. Cooper, S. Dai and D. E. Jiang J. Phys. Chem. Lett. 3 3343 (2012)

49. The influence of dispersion interactions on the hydrogen adsorption properties of expanded graphite

Y. Ihm, V. R. Cooper, L. Peng and J. R. Morris J. Phys.:Condens. Matter 24 424205 (2012)

48. Fractionally δ-doped oxide superlattices for higher carrier mobilities

W. S. Choi, S. Lee, V. R. Cooper and H. N. Lee Nano Lett. 12 4590 (2012)

47. Dielectric-constant-enhanced Hall mobility in complex oxides

W. Siemons, M. A. McGuire, V. R. Cooper, M. D. Biegalski, I. N. Ivanov, G. E. Jellison, L. A. Boatner, B. C. Sales and H. M. Christen Adv. Mater. 24 3965 (2012)

45. Molecular adsorption on metal surfaces with a van der Waals density functional

G. Li, I. Tamblyn, V. R. Cooper, H.- J. Gao and J. B. Neaton Phys. Rev. B 85 121409(R) (2012)

2011

44. Molecular self-assembly driven by London dispersion forces

G. Li, V. R. Cooper, J. Cho, S. Du, H.-J. Gao and Z. Zhang Phys. Rev. B 84 241406(R) (2011)

43. Design of a low band gap oxide ferroelectric: Bi6Ti4O17

B. Xu, D. J. Singh, V. R. Cooper and Y. P. Feng Euro. Phys. Lett. 94 37006 (2011)

42. First principles prediction of a morphotropic phase boundary in the Bi(Zn1/2Ti1/2)O3-(Bi1/2Sr1/2)(Zn1/2Nb1/2)O3 alloy

V. R. Cooper, A. S. Henry, S. Takagi and D. J. Singh Appl. Phys. Lett. 98 122903 (2011)

41. Cooperative behavior of Zn cations in Bi-based perovskites: A comparison of (Bi,Sr)2ZnNbO6 and (Bi,Sr)2MgNbO6

S. Takagi, V. R. Cooper and D. J. Singh Phys. Rev. B 83 115130 (2011)

40. A van der Waals density functional study of adenine on graphene: Single molecular adsorption and overlayer binding

K. Berland, S. D. Chakarova-Käck, V. R. Cooper, D. C. Langreth and E. Schröder J. Phys.: Condens. Matter 23 135001 (2011)

2010

38. Effect of A-site size difference on polar behavior in MBiScNbO6, (M=Na, K and Rb): Density functional calculations

S. Takagi, A. Subedi, V. R. Cooper and D. J. Singh Phys. Rev. B 82 134108 (2010)

37. Van der Waals density functional: an appropriate exchange functional

V. R. Cooper Phys. Rev. B 81 161104(R) (2010)

36. Polar behavior of double perovskite BiMZnNbO6 (M=Pb and Sr) from density functional calculations

S. Takagi, A. Subedi, D. J. Singh and V. R. Cooper Phys. Rev. B 81 134106 (2010)

2009

34. Porous graphene as the ultimate membrane for gas separation

D. E. Jiang, V. R. Cooper and S. Dai Nano Lett. 9 4019 (2009)

33. Stacking interactions and DNA intercalation

S. Li, V. R. Cooper, T. Thonhauser, B. I. Lundqvist and D. C. Langreth J. Phys. Chem. B 113 11166 (2009)

32. Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices

V. R. Cooper and K. M. Rabe Phys. Rev. B 79 180101 (R) (2009)

31. Spontaneous formation of dipolar metal nanoclusters

S. E. Mason, E. A. Sokol, V. R. Cooper and A. M. Rappe J. Phys. Chem. A 113 4134 (2009)

30. Theoretical and experimental analysis of H2 binding in a prototype metal organic framework material

L. Kong, V. R. Cooper, N. Nijem, K. Li, J. Li, Y. J. Chabal and D. C. Langreth Phys. Rev. B 79 081407 (R) (2009)

29. A density functional for sparse matter

D. C. Langreth, B. I. Lundqvist, S. Chakarova-Käck, V. R. Cooper, M. Dion, P. Hyldgaard, A. Kelkkanen, J. Kleis, L. Kong, S. Li, P. G. Moses, E. Murray, A. Puzder, H. Rydberg, E. Schröder and T. Thonhauser J. Phys.: Condens. Matter 21 084203 (2009)

2008

28. A density functional theory study of the benzene-water complex

S. Li, V. R. Cooper, T. Thonhauser, A. Puzder and D. C. Langreth J. Phys. Chem. A 112 9031 (2008)

27. A van der Waals density functional theory study of the interaction energies of nucleic-acid dimers

V. R. Cooper, T. Thonhauser and D. C. Langreth J. Chem. Phys. 128 204102 (2008)

26. Predicting C-H/π interactions with nonlocal density functional theory

J. Hooper, V. R. Cooper, T. Thonhauser, N. A. Romero, F. Zerilli and D. C. Langreth ChemPhysChem 9 891 (2008)

25. Stacking interactions and the twist of DNA

V. R. Cooper, T. Thonhauser, A. Puzder, E. Schröder, B. I. Lundqvist and D. C. Langreth J. Am. Chem. Soc. 130 1304 (2008)

2007

24. Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond

T. Thonhauser, V. R. Cooper, S. Li, A. Puzder, P. Hyldgaard and D. C. Langreth Phys. Rev. B 76 125112 (2007)

23. Polarization enhancement in short period superlattices via interfacial intermixing

V. R. Cooper, K. Johnston and K. M. Rabe Phys. Rev. B 76 020103 (R) (2007)

2005

22. The effect of octahedral tilting on proton binding sites in pseudo-cubic perovskite oxides

M. A .Gomez, M. A. Griffin, S. Jindal, K. D. Rule and V. R. Cooper J. Chem. Phys. 123 094703 (2005)

21. Support-mediated activation and deactivation of Pt thin-films

V. R. Cooper, A. M. Kolpak, Y. Yourdshahyan and A. M. Rappe Phys. Rev. B. 72 081409 (R) (2005)

20. Development of a bond-valence molecular dynamics model for complex oxides

Y.-H Shin, V. R. Cooper, I. Grinberg and A. M. Rappe Phys. Rev. B 71 054104 (2005)

2004

19. Oxide chemistry and local structure of Pb ZrxTi1-xO3 studied by density functional theory supercell calculations

I. Grinberg, V. R. Cooper and A. M. Rappe Phys. Rev. B 69 144118 (2004)

2002

18. Relationship between local structure and phase transitions of a disordered solid solution

I. Grinberg, V. R. Cooper and A. M. Rappe Nature 419 909 (2002)

Conference Proceedings:

2019

17. Tracing oxygen transport pathways with in-situ STEM and theory

A. Y. Birenbaum, V. R. Cooper and A. Borisevich Microsc. Microanal. 25 (S2) 1428 (2019)

2018

16. Accurate calculation of CBED patterns for 4D STEM using electron densities calculated by density functional theory

M. P. Oxley, A. Y. Birenbaum, T. Pandey, V. R. Cooper and M. Chi Microsc. Microanal. 24 (S1) 116 (2018)

15. Towards the mechanism of oxygen vacancy formation & ordering via tracking of beam-induced dynamics and density functional theory

A. Y. Birenbaum, L. Qiao, V. R. Cooper and A. Borisevich Microsc. Microanal. 24 (S1) 92 (2018)

2017

14. Investigating ionic transport anisotropy in oxygen deficient lanthanum cobaltites via STEM and first principles theory

A. Y. Birenbaum, L. Qiao, M. D. Biegalski, V. R. Cooper and A. Y. Borisevich Microsc. Microanal. 23 (S1) 1410 (2017)

2015

13. Mini-review of electron density visualization

J. Adler, O. Adler, M. Kreif, O. Cohen, B. Grosso, A. Hashibon and V. R. Cooper Phys. Procedia 68 2 (2015)

2012

11. Hydrogen adsorption at the graphene surface: A vdW-DF perspective

V. R. Cooper, Y. Ihm and J. R. Morris Phys. Procedia 34 34 (2012)

2010

10. Computing dispersion interactions in density functional theory

V. R. Cooper, L. Kong and D. C. Langreth Phys. Procedia 3 1417 (2010)

9. Lattice strain effects in graphane and partially-hydrogenated graphene sheets

J. R. Morris, F. W. Averill, H. He, B. Pan, V. R. Cooper and L. Peng Mater. Res. Soc. Symp. Proc. 1216E 1216-W03-10 (2010)

2007

8. Oxide-supported metal thin-film catalysts: The how and why.

V. R. Cooper, A. M. Kolpak, Y. Yourdshahyan and A. M. Rappe Nanotechnology in Catalysis 3 13 (2007)

2004

7. Accelerated modeling and new ferroelectric materials for Naval SONAR

I. Grinberg, V. R. Cooper, Y.-H. Shin, A. M. Rappe, T. J. Baring and S. B. Cable IEEE Transactions 27 (2004)

2003

6. Catalytic behavior at the nanoscale: CO adsorption on Al2O3 supported Pt clusters

Y. Yourdshahyan, V. R. Cooper, A. M. Kolpak and A. M. Rappe Proc. SPIE 5223 223 (2003)

5. Extending first principles modeling with crystal chemistry: A bond-valence based classical potential

V. R. Cooper, I. Grinberg and A. M. Rappe AIP Conf. Proc. 677 220 (2003)

4. Relating fundamental chemsitry and smart materials with DFT calculations

Y. Yourdshahyan, R. P. Kauffman, I. Grinberg, N. Sai, V. R. Cooper, S. E. Mason and A. M. Rappe IEEE Transactions 20 (2003)

2002

3. Local structure of PZT

V. R. Cooper, I. Grinberg and A. M. Rappe AIP Conf. Proc. 626 26 (2002)

Other:

2004

1. Visualization value: Understanding smart materials from first principles

S. B. Ziegler, V. R. Cooper and A. M. Rappe NAVO MSRC Navigator 9 (2004)