Total Publications: 75

Journal Papers: 57

Book Chapter: 1

Refereed Conference Papers: 17

Total Citations (from Web of Science): 2000 +

Published 3 papers in Science, 1 paper in Nature and 3 papers in PRL

2011

Journal Papers

1. Verma AK, Modak P and Karki BB, First-principles simulations of thermodynamical and structural properties of liquid Al₂O₃ under pressure, Physical Review B, 2011, 84: 174116

2. Ghosh DB and Karki BB, Diffusion and viscosity of Mg₂SiO₄ liquid at high pressure from first principles, Geochimica et Cosmochimica Acta, 2011, 75: 4591-4600

3. Sun N, Stixrude L, de Koker N and Karki BB, First principles molecular dynamical simulations of diopside (CaMgSi₂O₆) liquid to high pressure, Geochimica et Cosmochimica Acta, 2011, 75: 3792-3802

4. Karki BB, Bohara B and Stixrude L, First-principles study of diffusion and viscosity of anorthite (CaAl₂Si₂O₈) liquid at high pressure, American Mineralogist, 2011, 96: 744-751

Refereed Conference Proceedings

5. Chintana Y and Karki BB, Heuristic approach to multiple-job submission: a case study, The 23^rd IASTED Int’l Conf. Parallel and Distribu ted Computing and Systems (PDCS’11), 2011, in preparation

2010

Journal Papers

6. Karki BB and Stixrude L, Viscosity of MgSiO₃ liquid at Earth’s mantle conditions: Implications for an early magma ocean, Science, 2010, 328: 740-742

7. Gu S and Karki BB, Component-based isosurface extraction for multiple dataset visualization, Journal of Winter School of Computer Graphics (WSCG), 2010, 18: 97-104

8. Karki BB, Bhattarai D, Mookherjee M and Stixrude L, Visualization-based analysis of structural and dynamical properties of simulated hydrous silicate melt, Physics and Chemistry of Minerals, 2010, 37: 103-117

9. Karki BB and Stixtude L, First principles study of enhancement of transport properties of silica melt by water, Physical Review Letters, 2010, 104: 215901

10. Stackhouse S, Stixrude L and Karki BB, The thermal conductivity of periclase (MgO) from first-principles, Physical Review Letters, 2010, 104: 20850

11. Verma AK and Karki BB, First principles simulations of MgO tilt grain boundary: structure and vacancy formation at high pressure, American Mineralogist, 2010, 95: 1035-1041

12. Bohara B, Harhad F, Benger W, N. Brener, Iyenger SS, Karki BB, Ritter M, Liu K, Ullmer B, Shetty N, Natesan V, Cruz-Neira C, Evolving time surfaces in a virtual stirred tank, Journal of Winter School of Computer Graphics (WSCG), 2010, 18: 121-128

13. Stackhouse S, Stixrude L and Karki BB, Determination of the high-pressure properties of faylite from first-principles calculations, Earth and Planetary Science Letters, 2010, 289: 449-456

Book Chapter

14. Karki BB, First-principles molecular dynamics simulations of silicate melts: Structural and dynamical properties, Reviews in Mineralogy and Geochemistry, 2010, 71 (Chapter 17): 355-389

Refereed Conference Proceedings

15. Bohara B, Benger W, Ritter M, Roy S, Brener B, Acharya S, and Karki B, Time-curvature and time-torsion of virtual bubbles as fluid mixing indicators, IADIS Computer Graphics, Visualization, Computer Vision and Image Processing 2010 (CGVCVIP 2010), 2010

2009

Journal Papers

16. Verma AK and Karki BB, Ab initio investigation of native and protonic point defects in Mg₂SiO₄ polymorphs under high pressure, Earth and Planetary Science Letters, 2009, 285: 140-149

17. Balasubramanian M, Thompson HW, Zabic S, Bowd C, Wolenski P, Iyengar SS, Karki BB and Zangwill LM, A Framework for detecting glaucomatous progression in the optic nerve head of an eye using proper orthogonal decomposition, IEEE Transactions on Information Technology in Biomedicine, 2009, 13: 781-793

18. Verma AK and Karki BB, First-principles simulations of native point defects and ionic diffusion in high-pressure polymorphs of silica, Physical Review B, 2009, 79: 214115

19. Bhattarai D and Karki BB, Atomistic visualization: Space-time multiresolution integration of data analysis and rendering. Journal of Molecular Graphics and Modeling, 2009, 27: 951-968

20. Sixrude L, Koker N, Sun N., Mookherjee M and Karki BB, Thermodynamics of silicate liquids in deep Earth, Earth and Planetary Science Letters, 2009, 278: 226-232

2008

Journal Papers

21. Mookherjee M, Stixrude L and Karki BB, Hydrous silicate melt at high pressure. Nature, 2008, 452: 983-986

22. de Koker NP, Stixrude L and Karki BB, Thermodynamics, structure, dynamics, and freezing of Mg₂SiO₄ liquid at high pressure, Geochimica et Cosmochimica Acta, 2008, 72: 1427-1441

Refereed Conference Proceedings

23. Khanduja G and Karki BB, Exploiting data coherency in multiple dataset visualization, Proc. of the 10th Int’l. Conf. on Computer Graphics and Imaging (CGIM’08), Acta Press (ISBN 978-0-88986-20-8/CD-ROM), 2008, pp. 261-266

2007

Journal Papers

24. Karki BB and Khanduja G, A computational study of ionic vacancies and diffusion in MgSiO₃ perovskite and postperovskite phases. Earth Planetary Science Letters, 2007, 260: 201-211

25. da Silva CRS, da Silveira PRC, Karki BB and Wentzcovitch RM, Virtual laboratory for planetary materials: a system service architecture overview. Physics of Earth and Planetary Interiors, Special Issue, 2007, 163: 321-33

26. Karki BB, Bhattarai D and Stixrude L, First principles simulations of liquid silica: structural and dynamical behavior at high pressure. Physical Review B, 2007, 76: 104205

27. Oard S, Karki BB and Enright F, Is there a difference in metal ion-based inhibition between members of thionin family: Molecular dynamics simulation study. Biophysical Chemistry, 2007, 130: 65-75

Refereed Conference Proceedings

28. Bhattarai D and Karki BB, Atomistic visualization: on the-fly data extraction and rendering. Proc. of The 45^th ACM Southeast Conf. (ACMSE’07) 2007, pp 437-442

29. da Silva CRS, da Silveira PRC, Karki BB and Wentzcovitch RM, VLab: A Cyberinfrastructure for parameter sampling computations in materials science. 7^th IEEE Int’l Symposium on Cluster Computing and the Grid (CCGrid07), 2007

30. Khanduja G and Karki BB, Using graphics hardware for multiple datasets visualization. Proc. of The 15^th Int’l. Conf. on Central Europe in Computer Graphics, Visualization and Computer Vision (WSCG’07), 2007, pp. 161-168

31. Karki BB and Kumar R, Computer simulations of grain boundary structures in minerals. Proc. of Int’l. Conf. on Computational and Experimental Engineering and Sciences (ICCES’07), 2007, pp. 885-891

2006

Journal Papers

32. Karki BB, Bhattarai D and Stixrude L, A first-principles computational framework for liquid mineral systems. CMC: Computers, Materials and Continua, 2006, 3: 107-118

33. Karki BB and Khanduja G, Computer simulation and visualization of vacancy defects in MgSiO₃ perovskite. Modeling and Simulation in Materials Science and Engineering, 2006, 14: 1041-1052

34. Bhattarai D, Karki BB and Stixrude L, Space-time multiresolution atomistic visualization of MgO and MgSiO₃ liquid data. Visual Geosciences, 2006; DOI: 10.1007/s10069-006-0003-y, 1-11

35. Karki BB, Bhattarai D and Stixrude L, First principles calculations of the structural, dynamical and electronic properties of liquid MgO. Physical Review B, 2006, 73: 174208

36. Oard S and Karki BB, Mechanism of beta-purothionin antimicrobial peptide inhibition by metal ions: Molecular dynamics simulation study. Biophysical Chemistry, 2006, 212: 30-43

37. Karki BB and Khanduja G, Vacancy defects in MgO at high pressure. American Mineralogist, 2006, 91: 511-516

Refereed Conference Proceedings

38. Khanduja G and Karki BB, Multiple datasets visualization with isosurface extraction. The 6^th IASTED Int’l Conf. on Visualization, Imaging and Image Processing (VIIP’06), 2006

39. Ananthuni R, Karki BB, Bollig EF, da Silva CRS and Erlebacher G, A Web-based visualization and reposition scheme for scientific data. The 2006 Intl Conf. on Modeling Simulation and Visualization Methods (MSV'06), 2006, pp. 311-317

40. Kikuchi H, Karki BB and Saini S, Topology-aware parallel molecular dynamics simulation algorithm. The 2006 Int’l Conf. Parallel and Distributed Processing Techniques and Applications, (PDPTA’06), 2006, pp. 1083-1088

41. Bhattarai D and Karki BB, Visualization of atomistic simulation data for spatio-temporal information. The 14^th Int’l. Conf. on Central Europe in Computer Graphics, Visualization and Computer Vision (WSCG’06), ISBN 80-86943-03-8BB, 2006, pp. 17-24

42. Khanduja G and Karki BB, A systematic approach to multiple datasets visualization of scalar volume data. Int’l. Conf. on Computer Graphics Theory and Applications, (GRAPP’06), 2006, pp. 59-66

2005

Journal Papers

43. Stixrude L and Karki BB, Structure and freezing of MgSiO₃ liquid in Earth’s lower mantle. Science, 2005, 310: 297-299

Refereed Conference Proceedings

44. Karki BB, Kikuchi H and Saini S, Performance of parallel molecular dynamics algorithm with Ewald Coulomb. The 17^th IASTED Int’l Conf. Parallel and Distributed Computing and Systems, (PDCS’05), 2005, pp. 564-568

45. Yerraguntla V, Karki BB, Kikuchi H and Saini S, A parallel molecular dynamics algorithm for polycrystalline minerals. The 2005 Int’l Conf. on Modeling, Simulation and Visualization Methods (MSV’05), 2005, 201-207

46. Khanduja G and Karki BB, Visualization of 3D scientific datasets based on interactive clipping. The 13^th Int’l. Conf. on Central Europe in Computer Graphics, Visualization and Computer Vision (WSCG’05), 2005; ISBN 80-903100-9-5, pp. 34-37

2004

Journal Papers

47. Karki BB and Chennamsetty R, A visualization system for mineral elasticity. Visual Geosciences, 2004; DOI: 10.1007/s10069-004-0020-7; 1-9

48. Wentzcovitch RM, Stixrude L, Karki BB and Kiefer B, Akimotoite to perovskite transition in MgSiO₃. Geophysical Research Letters, 2004; 31: L10611

49. Vemparala S, Karki BB, Kalia RK, Nakano A and Vashishta P, Large-scale molecular dynamics simulations of alkanethiol self-assembled monolayers. Journal of Chemical Physics, 2004; 121: 4323-4330

50. Wentzcovitch RM, Karki BB, Cococcioni M, and de Gironcoli S, Elasticity and wave velocities of MgSiO₃ perovskite: Insight into lower mantle. Physical Review Letters, 2004; 92: No. 018501

2003

Journal Papers

51. Karki BB and Wentzcovitch RM, Vibrational and quasiharmonic thermal properties of CaO under pressure. Physical Review B, 2003; 68: No. 224304

2002

Journal Papers

52. Karki BB and Wentzcovitch RM, First-principles lattice dynamics and thermoelasticity of MgSiO₃ ilmenite at high pressure. Journal of Geophysical Research, 2002; 107: 2267-2273

2001

Journal Papers

53. Karki BB, Wentzcovitch RM, de Gironcoli S and Baroni S, First principles thermoelasticity of MgSiO₃ perovskite: consequences for the inferred properties of the lower mantle. Geophysical Research Letters, 2001; 28: 2699-2703

54. Karki BB, Stixrude L and Wentzcovitch RM, Elastic properties of major materials of earth's mantle from first principles. Reviews in Geophysics, 2001; 39: 507-534

55. Duan W, Karki BB, Wentzcovitch RM, and Gu BL, Ab initio study of MgSiO₃ low-clino-enstatite at high pressure. American Mineralogist, 2001; 86: 762-766

56. Karato S and Karki BB, Origin of lateral heterogeneity in seismic wave velocities and density in Earth’s deep mantle. Journal of Geophysical Research, 2001; 106: 21771-211783

2000

Journal Papers

57. Karki BB, Wentzcovitch RM, de Gironcoli S and Baroni S, High pressure lattice dynamics and thermoelasticity of MgO. Physical Review B, 2000; 61: 8793-8800

58. Karki BB, Wentzcovitch RM, de Gironcoli S and Baroni S, Ab initio lattice dynamics of MgSiO₃ perovskite at high pressure. Physical Review B, 2000; 62: 14750-14756

59. Karki BB, Thermal pressure in MgO and MgSiO₃ perovskite at lower mantle conditions. American Mineralogist, 2000, 85: 1447-1451

60. Karki BB, Duan W, da Silva CRS and Wentzcovitch RM, Ab initio structure of MgSiO₃ ilmenite at high pressure. American Mineralogist, 2000; 85: 317-320

1999

Journal Papers

61. Karki BB and Stixrude L, Seismic velocities of major silicate and oxide phases of the lower mantle. Journal of Geophysical Research, 1999; 104: 13025-13033

62. Duan W, Karki BB and Wentzcovitch RM, High-pressure elasticity of alumina studied by first principles. American Mineralogist, 1999; 84: 1961-1966

63. Karki BB, Wentzcovitch RM, de Gironcoli S and Baroni, S, First principles determination elastic anisotropy and wave velocities of MgO at lower mantle conditions. Science, 1999; 286: 1705-1708

64. da Silva CRS, Karki BB, Stixrude L. and Wentzcovitch RM, Ab initio study of the elastic behavior of MgSiO₃ ilmenite at high pressure. Geophysical Research Letters, 1999; 26: 943-946

1998

Journal Papers

65. Karki BB and Crain J, First-principles determination of elastic properties of CaSiO₃ perovskite at lower mantle pressures. Geophysical Research Letters, 1998; 25: 2741-2744

66. Wentzcovitch RM, Karki BB, Karato S and da Silva CRS, High pressure elastic anisotropy of MgSiO₃ perovskite and geophysical implications. Earth and Planetary Science Letters, 1998; 164: 371-378

67. Karki BB and Crain J, Structure and elasticity of CaO at high pressure. Journal of Geophysical Research, 1998; 103: 12405-12411

Refereed Conference Proceedings

68. Warren MC, Ackland GJ, Karki BB and Clark SJ, Phase transitions in silicate perovskites from first principles. Mineralogical Magazine, 1998; 62: 585-598

69. Karki BB, High-pressure elasticity of MgSiO₃ perovskite, MgO and SiO₂, in High Pressure Materials Research, edited by RM Wentzcovitch and P Yu, Materials Research Society, Warrendale, PA, 1998; 499: 219-224

1997

Journal Papers

70. Karki BB, Stixrude L, and Crain J, Ab initio elasticity of three high-pressure polymorphs of silica. Geophysical Research Letters, 1997; 24: 3269-3272

71. Karki BB, Warren MC, Stixrude L, Ackland GJ and Crain J, Ab initio studies of high-pressure structural transformations in silica. Physical Review B, 1997; 55: 3465-3471

72. Karki BB, Stixrude L, Clark SJ, Warren MC, Hsueh HC, Ackland GJ and Crain J, Ab initio elasticity and lattice dynamics of AgGaSe₂. Journal of Physics C, 1997; 9: 2375-380

73. Karki BB, Ackland GJ and Crain J, Elastic instabilities in crystals from ab initio stress-strain relations. Journal of Physics C, 1997; 9: 8579-8589

74. Karki BB, Stixrude L, Clark SJ, Warren MC, Ackland GJ and Crain J, Structure and elasticity of MgO at high pressure. American Mineralogist, 1997; 82: 51-60

75. Karki BB, Stixrude L, Clark SJ, Warren MC, Ackland GJ and Crain J, Elastic properties of orthorhombic MgSiO₃ perovskite at lower mantle pressures. American Mineralogist, 1997; 82: 635-638.