SCI Publications
2001
C. Guerra, V. Pascucci.
“Finding Line Segments with Tabu Search,” In IEICE Transactions on Information & Systems, Vol. E84-D, No. 12, pp. 1739-1744. December, 2001.
S. Gumhold, X. Wang, R.S. MacLeod.
“Feature Extraction from Point Clouds,” In Proceedings, 10th International Meshing Round Table, Sandia National Laboratories, pp. 293--305. 2001.
G. Higgins, B. Athey, J. Bassingthwaighte, J. Burgess, H. Champion, K. Cleary, P. Dev, J. Duncan, M. Hopmeier, D. Jenkins, C.R. Johnson, H. Kelly, R. Leitch, W. Lorensen, D. Metaxas, V. Spitzer, N. Vaidehi, K. Vosburgh, R. Winslow.
“Modeling and Simulation in Medicine: Towards an Integrated Framework,” In Computer Aided Surgery, Vol. 6, No. 1, Note: Final report of the meeting of the same title held July 20-21, 2000, National Library of Medicine, National Institutes of Health, Bethesda, Maryland, USA., 2001.
DOI: 10.1002/igs.1008
M. Ikits, J.D. Brederson, C.D. Hansen, J.M. Hollerbach.
“An Improved Calibration Framework for Electromagnetic Tracking Devices,” In Proceedings of IEEE Virtual Reality Conference 2001, Yokohama, Japan, pp. 63--70. Mar, 2001.
M. Ikits, J.D. Brederson, C.D. Hansen, J.M. Hollerbach.
“Calibration of 6DOF Electromagnetic Tracking Devices,” In IEEE VR2001, Japan, pp. 63--70. 2001.
C.R. Johnson, D. Brederson, C.D. Hansen, M. Ikits, G. Kindlmann, Y. Livnat, S.G. Parker, D.M. Weinstein, R.T. Whitaker.
“Computational Field Visualization,” In Computer Graphics, Vol. 35, No. 4, pp. 5--9. 2001.
C.R. Johnson, Y. Livnat, L. Zhukov, D. Hart, G. Kindlmann.
“Computational Field Visualization,” In Mathematics Unlimited -- 2001 and Beyond, Vol. 2, Edited by B. Engquist and W. Schmid, Springer-Verlag, pp. 605--630. 2001.
C.R. Johnson, M. Mohr, U. Ruede, A. Samsonov, K. Zyp.
“Multilevel Methods for Inverse Bioelelectric Field Problems,” In Lecture Notes in Computational Science and Engineering - Multiscale and Multiresolution Methods: Theory and Applications, Vol. 20, Edited by T.J. Barth and T.F. Chan and R. Haimes, Springer-Verlag Publishing, Heidelberg pp. 331--346. October, 2001.
C.R. Johnson.
“Adaptive Finite Element and Local Regularization Methods for the Inverse ECG Problem,” In Inverse Problems in Electrocardiology, Advances in Computational Biomedicine, Vol. 5, Edited by Peter Johnston, WIT Press, pp. 51--88. 2001.
C.R. Johnson.
“Computational Bioimaging for Medical Diagnosis and Treatment,” In Communications of the ACM, Vol. 44, No. 3, pp. 74--76. March, 2001.
S. Joshi, S. Pizer, P.T. Fletcher, A. Thall, G. Tracton.
“Multi-scale 3-D Deformable Model Segmentation Based on Medial Description,” In Information Processing in Medical Imaging (IPMI), Edited by MF Insana and RM Leahy, pp. 64--77. June, 2001.
R.M. Kirby, G.E. Karniadakis, O. Mikulchenko, K. Mayaram.
“Integrated Simulation for MEMS: Coupling Flow-Structure-Thermal-Electrical Domains,” In The MEMS Handbook, Edited by M. Gad-el-Hak, Informa UK Limited, 2001.
R.M. Kirby, G.E. Karniadakis.
“Under-Resolution and Diagnostics in Spectral Simulations of Complex-Geometry Flows,” In Turbulent Flow Computation, Edited by D. Drikakis and B. Geurts, Springer, pp. 1--42. 2001.
R.M. Kirby, G.E. Karniadakis, O. Mikulchenko, K. Mayaram.
“An Integrated Simulator for Coupled Domain Problems in MEMS,” In Journal of Microelectromechanical Systems, Vol. 10, No. 3, pp. 379--399. 2001.
J.M. Kniss, G. Kindlmann, C.D. Hansen.
“Interactive Volume Rendering Using Multi-Dimensional Transfer Functions and Direct Manipulation Widgets,” In Proceeding of IEEE Visualization 2001, pp. 255--262. October, 2001.
J.M. Kniss, P. McCormick, A. McPherson, J. Ahrens, J. Painter, A. Keahey, C.D. Hansen.
“Interactive Texture-based Volume Rendering for Large Datasets,” In IEEE Comp. Graph. & Applic., Vol. 21, No. 4, pp. 52--61. July/August, 2001.
J.M. Kniss, P. McCormick, A. McPherson, J. Ahrens, J. Painter, A. Keahey, C.D. Hansen.
“T-Rex, Texture-based Volume Rendering for Extremely Large Datasets,” In IEEE Comp. Graph. & Applic., Vol. 21, No. 4, pp. 52--61. 2001.
D.H. Laidlaw, R.M. Kirby, J.S. Davidson, T.S. Miller, M. da Silva, W.H. Warren, M. Tarr.
“Quantitative Comparative Evaluation of 2D Vector Field Visualization Methods,” In Proceedings of IEEE Visualization 2001, San Diego, CA, pp. 143--150. October, 2001.
I. Lagzi, A.S. Tomlin, T.Turanyi, L.Haszpra, M.Berzins.
“The Simulation of Photochemical Smog Episodes in Hungary and Central Europe Using Adaptive Gridding Models,” In Lecture Notes in Computer Science (LCNS), Computational Science - ICCS 2001, Vol. 2074/2001, Springer Berlin / Heidelberg, pp. 67--76. 2001.
ISBN: 978-3-540-42233-4
J.P. Lewis, K.R. Glaesemann, G.A. Voth, J. Fritsch, A.A. Demkov, J. Ortega, O.F. Sankey.
“Further Developments in the Local-orbital Density-functional Theory Tight-Binding Method,” In Physical Review, B, Vol. 64, No. 19, pp. 195103--195113. 2001.
DOI: 10.1103/PhysRevB.64.195103
Improvements to the Sankey-Niklewaki method [O. F. Sankey and D. J. Niklewski, Phys. Rev. B 40, 3979 (1989)] for computing total energies and forces, within an ab initio tight-binding formalism, are presented here. In particular, the improved method (called FIREBALL) uses the separable pseudopotential (Hamann or Troullier) and goes beyond the minimal sp2 basis set of the Sankey-Niklewski method, allowing for double numerical basis sets with the addition of polarization orbitals and d orbitals to the basis set. A major improvement includes the use of more complex exchange-correlation functionals, such as Becke exchange with the Lee-Yang-Parr correlation. Results for Cu and GaN band structures using d orbitals within the improved method are reported; the results for GaN are greatly improved compared to the minimal basis results. Finally, to demonstrate the flexibility of the method, results for the H2O dimer system and the energetics of a gas-phase octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine molecule are reported.