Computational Nanoscience

Publications

2025

110) "", Nikhilesh Maity, Milan Haddad, Nazanin Bassiri-Gharb, Amit Kumar, Lewys Jones, Sergey Lisenkov, Inna Ponomareva, Npj Comput. Mater. 11, 48 (2025). ()

2024

109) "", A Popoola, N Maity, R Kashikar, S Lisenkov, I Ponomareva , J. Phys. Chem. C. , 128, 17806 (2024). ()

108) "", Ravi Kashikar, Arlies Valdespino, Charlton Ogg, Edvin Uppgard, S. Lisenkov, I. Ponomareva, Nano Lett. , 24, 10624 (2024). ()

107) "", Nikhilesh Maity, Ravi Kashikar, S. Lisenkov, I. Ponomareva, Phys. Rev. Materials 8, L091402 (2024). ()

106) "", Ravi Kashikar, D DeTellem, PS Ghosh, Yixuan Xu, S Ma, S Witanachchi, Manh-Huong Phan, S Lisenkov, I Ponomareva, JACS 146 13105 (2024). (), (download .cif files)

105) "", Joshua Townsend, Ravi Kashikar, S Lisenkov, I Ponomareva, Phys. Rev. B 109, 094121 (2024). ()

104) "", Xiaowen Shi, Nimish Prashant Nazirkar, Ravi Kashikar, Dmitry Karpov, Shola Folarin, Zachary Barringer, Skye Williams, Boris Kiefer, Ross Harder, Wonsuk Cha, Ruihao Yuan, Zhen Liu, Dezhen Xue, Turab Lookman, Inna Ponomareva, and Edwin Fohtung, ACS Appl. Mater. Interfaces 16, 7522 (2024) ()

103) "", Ravi Kashikar, S. Lisenkov, and I. Ponomareva, Phys. Rev. B 109, L020101 (2024) (), (download .cif files)

102) "", M Kingsland, S Lisenkov, S Najmaei, I Ponomareva, J. Appl. Phys., 135, 054102 (2024).

2023

101) "" , Vimukthi Pathirage, Salma Khatun, Sergey Lisenkov, Kinga Lasek, Jingfeng Li, Sadhu Kolekar, Manuel Valvidares, Pierluigi Gargiani, Yan Xin, Inna Ponomareva, Matthias Batzill, Nano Letters 23, 9579 (2023).

100) "", Ravi Kashikar, Abduljelili Popoola, S. Lisenkov, A. Stroppa, and I. Ponomareva, J. Chem. Phys. Lett. 14, 8541 (2023). ()

99) "", Abduljelili Popoola, Partha Sarathi Ghosh, M. Kingsland, Ravi Kashikar, D. DeTellem, Yixuan Xu, S. Ma, S. Witanachchi, S. Lisenkov, and I. Ponomareva, J. Chem. Phys. 159, 074702 (), (download .cif files) (2023).

98) "" , Yulian Yao, Aaron Naden, Mengkun Tian, Sergey Lisenkov, Zachary Beller, Amit Kumar, Josh Kacher, Inna Ponomareva, Nazanin Bassiri-Gharb, Adv. Mater. 35, 2206541 (2023).

97) "", Adriana Ladera, Ravi Kashikar, S. Lisenkov and I. Ponomareva, Adv. Theory Simul., 2200690 (2023). ()

2022

96) "", Ravi Kashikar, Subhashree Chatterjee, Folarin Shola Taofeek, Abhisikta Barman, Shubhankar Barman, Sohini Kar-Narayan, Anuja Datta, Sergey Lisenkov, Devajyoti Mukherjee, and I. Ponomareva, Phys. Rev. Materials 6, 124403 (2022).

95) "", Partha Sarathi Ghosh, S. Lisenkov and I. Ponomareva, ACS Appl. Mater. Interfaces 14, 46449 (2022).

94) "" Ravi Kashikar, P. S. Ghosh, S. Lisenkov, A. Stroppa and I. Ponomareva, Phys. Rev. Materials 6 , 104603 (2022) (download .cif files).

93) "" , K. A. Lynch, T. Meng and I. Ponomareva, Adv. Theory Simul., 2200278 (2022).

92) "" , J. Doherty, K.A. Lynch and I. Ponomareva, J. Appl. Phys. 132, 034101 (2022).

91) "", P.S. Ghosh and I. Ponomareva, J. Phys. Chem. Lett. 13, 3143 (2022).

90) "", P.S. Ghosh, D. DeTellem, Junyu Ren, S. Witanachchi, Shengqian Ma, S. Lisenkov, and I. Ponomareva Phys. Rev. Lett., 128 077601 (2022), (download .cif files).

2021

89) "", Ravi Kashikar. P.S. Ghosh, S. Lisenkov, B. R. K. Nanda, and I. Ponomareva, Phys. Rev. B 104, 235132 (2021).

88) "" , P.S. Ghosh and I. Ponomareva, J. Phys. Chem. Lett. 12 , 7560 (2021).

87) "" , P.S. Ghosh, J. Doherty, S. Lisenkov, and I. Ponomareva, J. Phys. Chem. C 125, 16296 (2021), (download .cif files).

86) "" , M. Kingsland, P. S. Ghosh, S. Lisenkov, and I. Ponomareva, J. Phys. Chem. C, 125 8794 (2021), (download .cif files).

2020

85) "", S. Lisenkov, A. Ladera and I. Ponomareva, Phys. Rev. B , 102 224109 (2020).

84) "", P. S. Ghosh, S. Lisenkov, and I. Ponomareva, Phys. Rev. Lett., 125 207601 (2020) , (download .cif files).

83) "", K.A. Lynch and I. Ponomareva, Phys. Rev. B , 102 134101 (2020).

82) "", S. Lisenkov, Yulian Yao, Nazanin Bassiri-Gharb, and I. Ponomareva, Phys. Rev. B , 102 104101 (2020), (download .cif files) .

81) "", M. Kingsland, K.A. Lynch, S. Lisenkov, Xiao He, and I. Ponomareva, Phys. Rev. Materials 4, 073802, (2020).

2019

80) "", M. Kingsland, Z. G. Fthenakis, and I. Ponomareva, Phys. Rev. B, 024114 (2019).

79) "", C. Mentzer, S. Lisenkov, Z. G. Fthenakis and I. Ponomareva, Phys. Rev. B 99, 064111 (2019).

2018

78) "" , D. Pappas, Z. G. Fthenakis and I. Ponomareva, Nano Lett. 18, 5996 (2018).

77) "" , M. Kingsland, S. Lisenkov and I. Ponomareva, Adv. Theory Simul., 1800096 (2018).

76) "", Z. G. Fthenakis and I. Ponomareva, Phys. Rev. B 98, 054107 (2018).

75) "", S. Lisenkov and I. Ponomareva, Phys. Rev. B 97, 184104 (2018).

74) "", S. Lisenkov and I. Ponomareva Phys. Rev. Materials 2, 055402 (2018).

2017

73) "", P. Jouzdani, S. Cuozzo, S. Lisenkov, and I. Ponomareva, Phys. Rev. B 96, 214107 (2017).

72) "", Z. Fthenakis and I. Ponomareva, Phys. Rev. B 96, 184110 (2017).

71) "", R. Herchig and I. Ponomareva, J. Appl. Phys. 122, 214103 (2017).

70) "", R. Herchig, J. Cuozzo, S. Lisenkov and I. Ponomareva, Appl. Phys. Lett. 111, 152904 (2017).

69) "", A. Chauhan, S. Patel, A. Kumar, I. Ponomareva, R. Kumar, Rahul Vaish, Mater. Today Comm. 12, 146 (2017).

68) "", E. Glazkova-Swedberg, J. Cuozzo, S. Lisenkov, I. Ponomareva, Comput. Mater. Sci. 129, 44 (2017).

2016

67) "", S. Lisenkov, Ryan Herchig, Satyanarayan Patel, Rahul Vaish, J. Cuozzo, and I. Ponomareva, Nano Lett. 16, 7008 (2016).

66) "", Radwan Elzein, Chun-Min Chang, Inna Ponomareva, Wen-Yang Gao, Shengqian Ma, and Rudy Schlaf, ACS Appl. Mater. Interfaces 8, 31403 (2016).

65) "", Satyanarayan Patel, Aditya Chauhan, J. Cuozzo, S. Lisenkov, I. Ponomareva and Rahul Vaish, Appl. Phys. Lett. 108, 162901 (2016).

64) "", R. Herchig, B. K. Mani, S. Lisenkov, and I. Ponomareva, Comput. Mater. Sci. 117, 468 (2016).

63) "", B. K. Mani, R. Herchig, E. Glazkova, S. Lisenkov, and I. Ponomareva, Nanotechnology 27, 195705 (2016).

62) "", S. Lisenkov, B. K. Mani, J. Cuozzo and I. Ponomareva, Phys. Rev. B, 93, 064108 (2016).

61) "", S. Lisenkov, B.K. Mani, E. Glazkova, C.W. Miller and I. Ponomareva, Sci. Rep. 6, 19590 (2016).

60) """, C.-M. Chang, B. K. Mani, S. Lisenkov, and I. Ponomareva, Ferroelectrics 494 (2016).

2015

59) "", R. Herchig, C.-M. Chang, B.K. Mani, and I. Ponomareva, Sci. Rep. 5, 17294 (2015).

58) "", B. K. Mani, C.-M. Chang, S. Lisenkov, and I. Ponomareva, Phys. Rev. Lett. 115, 097601 (2015).

57) "", E. Glazkova, C.-M. Chang, S. Lisenkov, B. K. Mani, and I. Ponomareva, Phys. Rev. B 92, 064101 (2015).

56) "", C.-M. Chang, B. K. Mani, S. Lisenkov, and I. Ponomareva, Phys. Rev. Lett. 114, 177205 (2015).

55) "", B. K. Mani, S. Lisenkov, and I. Ponomareva, Phys. Rev. B 91, 134112 (2015).

2014

54) "", Kevin McCash, B. K. Mani, Ch.-M. Chang and I. Ponomareva, J. Phys.: Condens. Matter 26, 435901 (2014).

53) "", R. Herchig, Ch.-M. Chang, B. K. Mani and I. Ponomareva, Appl. Phys. Lett. 105, 012907 (2014).

52) "", E. Glazkova, Kevin McCash, C.-M. Chang, B. K. Mani and I. Ponomareva, Appl. Phys. Lett. 104, 012909 (2014).

2013

51) "", B. K. Mani, C.-M. Chang, and I. Ponomareva, Phys. Rev. B 88, 064306 (2013).

50) "", S. Lisenkov, B. K. Mani, C.-M. Chang, J. Almand, and I. Ponomareva, Phys. Rev. B 87, 224101 (2013).

49) "", Qingteng Zhang and I. Ponomareva, New J. Phys. 15, 043022 (2013).

48) "", J. Weerasinghe, L. Bellaiche, T. Ostapchuk, P. Kuzel, C. Kadlec, S. Lisenkov, I. Ponomareva, J. Hlinka, MRS Communications, 3, 41 (2013).

47) "", R. Herchig, Kimberly Schultz, Kevin McCash, and I. Ponomareva, Nanotechnology, 24, 045501 (2013).

2012

46) "", Kevin McCash, A. Srikanth, I. Ponomareva, Phys. Rev. B 86, 214108 (2012).

45) "", S. Lisenkov and I. Ponomareva, Phys. Rev. B 86, 104103 (2012).

44) "", I. Ponomareva and S. Lisenkov, Phys. Rev. Lett. 108, 167604 (2012).

43) "", I. Ponomareva, A.K. Tagantsev and L. Bellaiche, Phys. Rev. B 85, 104101 (2012).

2010-2011

42) "", Qingteng Zhang, R. Herchig and I. Ponomareva, Phys. Rev. Lett. 107, 177601 (2011).

41) "", Qingteng Zhang and I. Ponomareva, Phys. Rev. Lett. 105, 147602 (2010).

40) "", S. Bin-Omran, I. Kornev, I. Ponomareva, and L. Bellaiche, Phys. Rev. B 81, 094119 (2010).

39) "", L. Louis, P. Gemeiner, I. Ponomareva, L. Bellaiche, G. Geneste, W. Ma, N. Setter and B. Dkhil, NanoLetters 10(4), 1177 (2010).

2009

38) "", S. Lisenkov and I. Ponomareva, Phys. Rev. B. 80, 140102(R) (2009).

37) "", T. Ostapchuk, J Petzelt, J Hlinka, V Bovtun, P Kuzel, I Ponomareva, S Lisenkov, L Bellaiche, A. Tkach and P. Vilarinho, J. Phys.: Cond. Matt. 21, 474215 (2009).

36) "", David Sichuga, I. Ponomareva and L. Bellaiche, Phys. Rev. B 80, 134116 (2009).

35) "", R. Michael Sheetz, Inna Ponomareva, Ernst Richter, Antonis N. Andriotis, and Madhu Menon, Phys. Rev. B 80, 195314 (2009).

34) "", S. Lisenkov, I. Ponomareva, and L. Bellaiche, Phys. Rev. B 79, 024101 (2009).

2008

33) "", I. Ponomareva and L. Bellaiche Phys. Rev. Lett. 101, 197602 (2008).

32) "", J. Hlinka, T. Ostapchuk, D. Nuzhnyy, J. Petzelt, P. Kuzel, C. Kadlec, P. Vanek, I. Ponomareva, and L. Bellaiche Phys. Rev. Lett. 101 , 167402 (2008).

31) "", S. Prosandeev, I. Ponomareva, I. Kornev and L. Bellaiche, Phys. Rev. Lett. 100 ,047201 (2008).

30) "", I. Ponomareva, L. Bellaiche, T. Ostapchuk, J. Hlinka and J. Petzelt, Phys. Rev. B 77, 012102 (2008).

29) "", S Prosandeev, I Ponomareva, I Naumov, I Kornev and L Bellaiche, J. Phys.: Condens. Matter 20, 193201 (2008).

28) "", S. Prosandeev, I. Ponomareva, and L. Bellaiche, Phys. Rev. B 78, 052103 (2008).

27) "" , S. Bin-Omran, I. Ponomareva, and L. Bellaiche, Phys. Rev. B 77, 144105 (2008).

2007

26) "" , I. Ponomareva, L. Bellaiche, and R. Resta, Phys. Rev. Lett. 99, 227601 (2007).

25) "", I. Ponomareva, D. Srivastava, and M. Menon, Nano Lett. 7(5) 1155 (2007).

24) "", Igor A. Kornev, B.-K. Lai, I. Naumov, I. Ponomareva, H. Fu, and Laurent Bellaiche, Advanced Dielectric, Piezoelectric and Ferroelectric Materials - Synthesis, Characterization and Applications, edited by Professor Zuo-Guang Ye, Woodhead Publishing Limited (2007).

23) "", I. Ponomareva, L. Bellaiche, and R. Resta, Phys. Rev. B 76, 235403 (2007).

22) "", I. Ponomareva, E. Richter, A.N. Andriotis, and M. Menon, Nano Lett. 7(11), 3424 (2007).

21) "", Bo-Kuai Lai, I. Ponomareva, I. Kornev, L. Bellaiche, and G. Salamo, Appl. Phys. Lett. 91, 152909 (2007).

20) "", Bo-Kuai Lai, Inna Ponomareva, Igor A. Kornev, L. Bellaiche, and G. J. Salamo. Phys. Rev. B 75, 085412 (2007).

2006

19) "", S. Prossandeev, I. Ponomareva, I. Kornev, I. Naumov and L. Bellaiche, Phys. Rev. Lett. 96, 237601 (2006).

18) "", B.-K. Lai, I. Ponomareva, I. Naumov, I. Kornev, H. Fu, L. Bellaiche, and G.J. Salamo, Phys. Rev. Lett. 96, 137602 (2006).

17) "" I. Ponomareva and L. Bellaiche, Phys. Rev. B 74, 064102 (2006).

16) "", I. Ponomareva, M. Menon, E. Richter and A.N. Andriotis, Phys. Rev. B 74, 125311 (2006).

2005

15) "", I. Ponomareva, I.I. Naumov, I. Kornev, Huaxiang Fu and L. Bellaiche, Phys. Rev. B, Rapid Com. 72, 140102 (2005).

14) "", I. Ponomareva, M. Menon, D. Srivastava, and A.N. Andriotis, Phys. Rev. Lett. 95, 265502 (2005).

13) "", I. Ponomareva, I.I. Naumov, I. Kornev, Huaxiang Fu and L. Bellaiche, Curr. Opin. Solid State Mater. Sci. 9, 114 (2005).

12) "", I. Ponomareva, I. I. Naumov and L. Bellaiche, Phys. Rev. B 72, 214118 (2005).

11) "", S. Lisenkov, A. N. Andriotis, I. Ponomareva, and M. Menon, Phys. Rev. B 72, 113401 (2005).

2004

10) "", L.A. Chernozatonskii, I.V. Ponomareva, NATO-ASI2003, Kluwer Publishers, (2004).

9) "", S. Lisenkov, I. Ponomareva, L.A. Chernozatonskii, Physics of the Solid State 46, 1529 (2004).

8) "", I. Ponomareva, L. Chernozatonskii, JETP Lett. 79, 375 (2004).

7) "", M. Menon, D. Srivastava, I. Ponomareva, L. Chernozatonskii, Phys. Rev. B 70, 125313 (2004).

2002-2003

6) "": Formation Pathways and Conductivity", M. Menon, A. N. Andriotis, D. Srivastava, I. Ponomareva and L. A. Chernozatonskii, Phys. Rev. Lett. 91, 145501 (2003).

5) "", L. Chernozatonskii, I. Ponomareva, JETP Lett., 78, 327 (2003).

4) "", L.A. Chernozatonskii, I.V. Ponomareva, Fullerenes, nanotubes and carbon nanostructures, 12, 87 (2004).

3) "", I. Ponomareva, L.A. Chernozatonskii, A.N. Andriotis, M.Menon, New Journal of Physics, 5, 119.1. (2003).

2) "", I.V. Ponomareva, L.A. Chernozatonskii, Microelectronic Engineering, 69, 625 (2003).

1) "", I. Ponomareva, L. Chernozatonskii, JETP Lett. 76, 456 (2002).