Computational Science Laboratory

URL: http://people.cs.vt.edu/~asandu/CSL/index.php

Contact: Adrian Sandu

2008
Lee, M., R. Weidner, K. Bowman, A.   Sandu, and K. Singh, "Sensor-web Operations Explorer (SOX) for Integrated Air Quality Campaign", IEEE ECMI 2008, 09/2008.
Alexe, M., and A.   Sandu, "ADJERKDENS, a Runge Kutta library for adjoint calculation", submitted, 2008.
Alexe, M., and A.   Sandu, "On the discrete adjoints of variable step time integrators", submitted, 2008.
Sandu, A.  , and L. Zhang, "Discrete Second Order Adjoints in Atmospheric Chemical Transport Modeling", Jurnal of Computational Physics, vol. 227, no. 12, pp. 5949–5983, 2008.
Constantinescu, E. M., A.   Sandu, and G. R. Carmichael, "Modeling atmospheric chemistry and transport with dynamic adaptive resolution", Computational Geosciences, 2008.
Liu, Z., and A.   Sandu, "Analysis of discrete adjoints of numerical methods for the advection equation", International Journal for Numerical Methods for Fluids, vol. 56, no. 7, pp. 769–803, 2008.
Sandu, C., A.   Sandu, B. Chan, and M. Ahmadian, "A response spectral decomposition approach for the control of nonlinear mechanical systems", International Journal of Heavy Vehicle Systems, vol. 15, no. 1, pp. 26, 2008.
Carmichael, G. R., T. Chai, A.   Sandu, E. M. Constantinescu, and D. Daescu, "Predicting air quality: improvements through advanced methods to integrate models and measurements", Journal of Computational Physics, vol. 227, no. 7, pp. 3540–3571, 2008.
2007
Sandu, A.  , and E. M. Constantinescu, "Multirate Adams-Bashforth integration of hyperbolic systems", Journal on Scientific Computing, vol. submitted, 2007.
Sandu, A.  , On consistency properties of discrete adjoint linear multistep methods, , no. CS-TR-07-4: Computer Science Department, Virginia Tech, 2007.
Hakami, A., D. K. Henze, J. H. Seinfeld, K. Singh, A.   Sandu, S. Kim, D. Byun, and Q. Li, "The adjoint of CMAQ", Environmental Science and Technology, vol. 41, no. 22, pp. 7807–7817, 2007.
Constantinescu, E. M., A.   Sandu, T. Chai, and G. R. Carmichael, "Autoregressive models of background errors for chemical data assimilation", Journal of Geophysical Research, vol. 112, no. D12309, 2007.
Constantinescu, E. M., and A.   Sandu, "Multirate timestepping methods for hyperbolic conservation laws", Journal on Scientific Computing, vol. 33, no. 3, pp. 239–278, 2007.
Constantinescu, E. M., A.   Sandu, T. Chai, and G. R. Carmichael, "Ensemble-based chemical data assimilation. I: General approach", Quarterly Journal of the Royal Meteorological Society, vol. 133, no. 626, pp. 1229–1243, July, 2007.
Constantinescu, E. M., A.   Sandu, T. Chai, and G. R. Carmichael, "Ensemble-based chemical data assimilation. II: Covariance localization", Quarterly Journal of the Royal Meteorological Society, vol. 133, no. 626, pp. 1245–1256, July, 2007.
Chai, T., G. R. Carmichael, Y. Tang, A.   Sandu, M. Hardesty, P. Pilewskie, S. Whitlow, E. V. Browell, M. A. Avery, V. Thouret, et al., "Four dimensional data assimilation experiments with ICARTT (International Consortium for Atmospheric Transport and Transformation) ozone measurements", Journal of Geophysical Research, vol. 112, no. D12S15, 2007.
Constantinescu, E. M., A.   Sandu, T. Chai, and G. R. Carmichael, "Assessment of ensemble-based chemical data assimilation in an idealized setting", Atmospheric Environment, vol. 41, no. 1, pp. 18-36, 2007.
2006
Miehe, P., and A.   Sandu, "Forward, Tangent Linear, and Adjoint Runge Kutta Methods in KPP–2.2 for Efficient Chemical Kinetic Simulations", Applied Numerical Mathematics, 2006.
Sandu, A.  , "On the Properties of Runge-Kutta Discrete Adjoints", Lecture Notes in Computer Science, vol. LNCS 3994,: "International Conference on Computational Science", pp. 550–557, 2006.
Hakami, A., J. H. Seinfeld, T. Chai, Y. Tang, G. R. Carmichael, and A.   Sandu, "Adjoint sensitivity analysis of ozone non-attainment over the continental United States", Environmental Science and Technology, 2006.
Sandu, C., A.   Sandu, and L. and Li, "Modeling of stochastic terrain profiles and soil parameters", SAE 2005 Transactions – Journal of Commercial Vehicles, vol. 114, no. 2, pp. 211–220, 2006.
Chai, T., G. R. Carmichael, A.   Sandu, Y. Tang, and D. N. Daescu, "Chemical data assimilation with TRACE-P aircraft measurements", Journal of Geophysical Research, vol. 111, no. D02301, 2006.
Sandu, A.  , and R. Sander, "Modeling chemical kinetic systems in Fortran90 and Matlab with KPP-2.1", Atmospheric Chemistry and Physics, vol. 6, pp. 187–195, 2006.
Sandu, A.  , "Piecewise polynomial solutions of aerosol dynamics", Aerosol Science and Technology, vol. 40, pp. 1–13, 2006.
Sandu, A.  , C. Sandu, and M. Ahmadian, "Modeling multibody dynamic systems with uncertainties. Part I: theoretical and computational aspects", Multibody System Dynamics, vol. 15, no. 4, pp. 369–391, 2006.
Sandu, A.  , C. Sandu, and M. Ahmadian, "Modeling multibody dynamic systems with uncertainties. Part II: numerical applications", Multibody System Dynamics, vol. 15, no. 3, pp. 245–266, 2006.
2005
Sandu, A.  , E. M. Constantinescu, W. Liao, G. R. Carmichael, T. Chai, J. H. Seinfeld, and D. Daescu, "Ensemble Filter Data Assimilation for Atmospheric Chemical and Transport Models", International Conference on Computational Science (ICCS05): International Conference on Computational Science, pp. 648–656, 2005.
Constantinescu, E. M., W. Liao, and A.   Sandu, "Mesh Refinement Strategies in Air Quality Modeling", High Performance Computing Symposium (HPC 2005): High Performance Computing Symposium, pp. 158–163, 2005.
Constantinescu, E. M., and A.   Sandu, "On Adaptive Mesh Refinement for Atmospheric Pollution Models", Lecture Notes in Computer Science, vol. 3515: "International Conference on Computational Science", pp. 798–806, 2005.
Hakami, A., D. K. Henze, J. H. Seinfeld, T. Chai, Y. Tang, G. R. Carmichael, and A.   Sandu, "Adjoint inverse modeling of black carbon during ACE-Asia", Journal of Geophysical Research, vol. 110, no. D14, 2005.
Sandu, A.  , W. Liao, G. R. Carmichael, D. K. Henze, and J. H. Seinfeld, "Inverse modeling of aerosol dynamics using adjoints – theoretical and numerical considerations", Aerosol Science and Technology, vol. 39, pp. 1–18, 2005.
Sandu, A.  , D. Daescu, G. R. Carmichael, and T. Chai, "Adjoint sensitivity analysis of regional air quality models", Journal of Computational Physics, vol. 204, pp. 222–252, 2005.
2004
Sandu, A.  , D. Daescu, G. R. Carmichael, and T. Chai, "Parallel Chemical Data Assimilation in Atmospheric Models", SIAM Conference on Parallel Processing PP04, vol. Session CP, pp. San Francisco, 2004.
Sandu, A.  , C. Belwal, and E. M. Constantinescu, Parallel Adaptive Simulations of Regional Air Quality, : SIAM Conference on Parallel Processing for Scientific Computing, 2004.
Sandu, A.  , C. Sandu, B. Chan, and M. Ahmadian, "Control of mechanical systems using a parameterized spectral decomposition approach", Sixth annual symposium on advanced vehicle technology, no. IMECHE-200, pp. 9, November 14-19, 2004.
Sandu, C., A.   Sandu, B. Chan, and M. Ahmadian, "Treating uncertainties in multi-body dynamic systems using a polynomial chaos spectral decomposition", Sixth annual symposium on advanced vehicle technology, no. IMECHE-200, pp. 9, November 14-19, 2004.
Chai, T., G. R. Carmichael, D. Daescu, and A.   Sandu, "Analysis of Trace-P observations using a 4D-Var data assimilation technique", {Proceedings of the 84-th American Meteorological Society annual meeting}, vol. Session 8:, no. 8.4, pp. 6, January 11-15, 2004.
Carmichael, G. R., A.   Sandu, D. Daescu, T. Chai, J. H. Seinfeld, P. Hess, and T. Anderson, "Chemical data assimilation in support of air quality forecasting", Proceedings of the 84-th American Meteorological Society annual meeting, vol. Session 2:, no. 2.1, pp. 6, January 11-15, 2004.
Sandu, A.  , W. Liao, G. R. Carmichael, D. Henze, J. H. Seinfeld, T. Chai, and D. Daescu, "Computational aspects of data assimilation for aerosol dynamics", Lecture Notes in Computer Science, vol. 3038: Springer-Verlag GmbH, pp. 709–716, June, 2004.
Belwal, C., A.   Sandu, and E. M. Constantinescu, "Adaptive resolution modeling of air pollution", ACM Symposium on Applied Computing (SAC-2004), pp. 235–239, March, 2004.
Tang, Y., G. R. Carmichael, L. W. Horowitz, I. Uno, J. H. Woo, D. G. Streets, D. Dabdub, G. Kurata, A.   Sandu, J. Allan, et al., "Multi-scale simulations of tropospheric chemistry in the Eastern Pacific and U.S. West coast during spring 2002", Journal of Geophysical Research - Atmospheres, vol. 109, no. D23, 2004.
Tang, Y., G. R. Carmichael, J. H. Seinfeld, D. Dabdub, R. J. Weber, B. Huebert, A. D. Clarke, S. A. Guazzotti, D. A. Sodeman, K. A. Prather, et al., "Three-dimensional studies of aerosol ions and their size distribution in East Asia during spring 2001", Journal of Geophysical Research, vol. 109, no. D19, 2004.
Henze, D. K., J. H. Seinfeld, W. Liao, A.   Sandu, and G. R. Carmichael, "Inverse modeling of aerosol dynamics: condensational growth", Journal of Geophysical Research, vol. 109, no. D14, 2004.
2003
Sandu, A.  , D. Negrut, C. Sandu, E. J. Haug, and F. A. Potra, "Rosenbrock Nystrom integrator for SSODE of mechanical systems", Proceedings of ASME International (DETC-2003), no. VIB-48329, pp. 8, September 6-10, 2003.
Carmichael, G. R., D. Daescu, A.   Sandu, and T. Chai, "Computational aspects of chemical data assimilation into atmospheric models", Springer Lecture Notes in Computer Science, no. 2660, pp. 269–278, June, 2003.
Sandu, A.  , and C. T. Borden, "Discretization of aerosol dynamics with B-splines", ACM Symposium on Applied Computing (SAC-2003), pp. 189–193, March 13-18, 2003.
Sandu, A.  , "Computational Sciences track editorial", {ACM Symposium on Applied Computing (SAC-2003)}, pp. 141–142, March 13-18, 2003.
Sandu, A.  , D. N. Daescu, T. Chai, G. R. Carmichael, J. H. Seinfeld, P. G. Hess, T. L. Anderson, and F. Darema, "Computational aspects of 4D-Var chemical data assimilation in atmospheric models", Dynamic Data Driven Applications Systems: Kluwer Academic Publishers, 2003.
Sandu, A.  , and C. T. Borden, "A framework for the numerical treatment of aerosol dynamics", Applied Numerical Mathematics, vol. 45, pp. 475–497, 2003.
Sandu, A.  , D. Negrut, E. J. Haug, F. A. Potra, and C. Sandu, "A Rosenbrock-Nystrom state space implicit method for the dynamic analysis of mechanical systems: I – Theoretical development", Journal of Multibody Dynamics, vol. 217, no. K4, pp. 263–272, 2003.
Negrut, D., A.   Sandu, E. J. Haug, F. A. Potra, and C. Sandu, "A Rosenbrock-Nystrom state space implicit method for the dynamic analysis of mechanical systems: II – The Method and numerical results", Journal of Multibody Dynamics, vol. 217, no. K4, pp. 273–282, 2003.
Daescu, D., A.   Sandu, and G. R. Carmichael, "Direct and adjoint sensitivity analysis of chemical kinetic systems with KPP: II – Numerical validation and applications", Atmospheric Environment, vol. 37, pp. 5097–5114, 2003.
Sandu, A.  , D. Daescu, and G. R. Carmichael, "Direct and adjoint sensitivity analysis of chemical kinetic systems with KPP: I – Theory and software tools", Atmospheric Environment, vol. 37, pp. 5083–5096, 2003.
2002
Sandu, A.  , D. Daescu, and G. R. Carmichael, "Adjoint data assimilation for aerosol dynamics", Proceedings of the second International Conference on Air Polution Modeling and Simulation (APMS-2001), pp. 319–331, 2002.
Damian, V., A.   Sandu, M. Damian, F. Potra, and G. R. Carmichael, "The Kinetic PreProcessor KPP – a software environment for solving chemical kinetics", (Computers and Chemical Engineering), vol. 26, pp. 1567–1579, 2002.
Miehe, P., A.   Sandu, G. R. Carmichael, Y. Tang, and D. Daescu, "A Communication Library for the Parallelization of Air Quality Models on Structured Grids", Atmospheric Environment, vol. 36, pp. 3917–3930, 2002.
2001
Duff, J. F., P. Merkey, and A.   Sandu, "Parallel molecular dynamics using MPI on a Scyld-style Beowulf cluster", Proceedings of the 10th SIAM Conference on Parallel Processing for Scientific Computing, pp. 272–279, 2001.
Sandu, A.  , A spectral method for solving aerosol dynamics, , no. CSTR-01-04, 1400 Townsend Drive, Houghton, MI 49931, Department of Computer Science, Michigan Technological University, 2001.
2000
D. Daescu, G. R. Carmichael, and A.   Sandu, "Adjoint implementation of Rosenbrock methods applied to variational data assimilation", American Meteorological Society, pp. 346–354, May 15–19, 2000.
S. He, G. R.   Carmichael, A.   Sandu, and B.   Hotchkiss, "Application of ADIFOR for air pollution model sensitivity studies", Environmental Modeling and Software, vol. 15, pp. 549–557, 2000.
1999
Carmichael, G. R., A.   Sandu, C. H. Song, S. He, M. Phadnis, D. Daescu, V. Damian-Iordache, F. A. Potra, and Z. Zlatev, "Computational challenges of modeling interactions between aerosol and gas phase processes", NATO Advanced Study Institute on Computational Challenges in Air Pollution Modeling, pp. 99–136, 1999.
1998
Shan, H., G. R. Carmichael, A.   Sandu, and B. Hotchkis, "Exploring the effects of aerosols and photochemistry and radiative processes in the troposphere using automatic differentiation", Proceedings of the First International Conference on Air Pollution Modeling and Simulation (APMS-1998), pp. 12, 1998.
1997
Jay, L. O., A.   Sandu, F. A. Potra, and G. R. Carmichael, "Improved QSSA methods for atmospheric chemistry integration", SIAM Journal on Scientific Computing, vol. 18, no. 1, pp. 182–202, 1997.
1996
Jay, L. O., A.   Sandu, F. A. Potra, G. R. Carmichael, E. Kreuzer, and O. Mahrenholtz, "Efficient Numerical Integration for Atmospheric Chemistry", Special issue of ZAMM: Applied sciences, no. 4, pp. 450–453, 1996.
Carmichael, G. R., A.   Sandu, F. A. Potra, V. Damian-Iordache, and M. Damian-Iordache, "The current state and the future directions in air quality modeling", Systems Analysis Modelling Simulation, vol. 25, pp. 75–105, 1996.
Carmichael, G. R., A.   Sandu, F. A. Potra, and V. Damian-Iordache, "An overview of sensitivity analysis for atmospheric chemistry models via automatic differentiation", Air Pollution IV - Monitoring, Simulation and Control, vol. B. Caussad, pp. Computational Mechanics Publications, Southampton, Boston, 1996.
1995
Sandu, A.  , G. R. Carmichael, and F. A. Potra, "Using automatic differentiation for sensitivity analysis of atmospheric chemistry models", Office for Official Publications of the European Communities, no. L–2985, pp. 49–51, 1995.