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Indiana University Bloomington

Peter OrtolevaPeter J. Ortoleva

Distinguished Professor, Chemistry Department

Office: Chemistry C203E

Phone: 812/855-2717

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Lab Website

Education Rensselaer Polytechnic Institute, 1964 Cornell University, 1970


Numerical simulation of molecular and viral dynamics and their self-replication; metabolic, genomic, proteomic, modeling

Representative Publications

Ortoleva, P. 1992. Nonlinear Chemical Waves. Chichester: John Wiley and Sons, 1992, 302 pp.

Ortoleva, P. 1994. Geochemical Self-Organization. Oxford University Press, 1994, 411 pp.

Tuncay, K. and P. Ortoleva. 2004. Quantitative basin modeling: present state and developments toward predictability, Geofluids, Volume 4, Number 1, 23-39.

Jaqaman, K., K. Tuncay and P. Ortoleva. 2004. Classical density functional theory of orientation order at interfaces: Application to water, J. Chem. Phys. Vol. 120 (2): 926-938.

Navid, A. and P. Ortoleva. 2004. Simulated complex dynamics of glycolysis in the protozoan parasite Trypanosoma brucei. J. Theor. Biol. 228(4), 449-458.

Jarymowycz, L. and P. Ortoleva. 2006. Involatile nanodroplets: An asymptotic analysis. J. Chem. Phys. Vol. 124: 234705. 4 pp.

Miao, Y. and P. Ortoleva. 2006b. Viral structural transitions: An all-atom multiscale theory. J. Chem. Phys. 125, 214901.

Sheen, D-H., K. Tuncay, C-E. Bang, and P. Ortoleva. 2006. Parallel implementation of a velocity-stress staggered-grid finite-difference method for 2-D poroelastic wave propagation. Computers and Geosciences, Vol. 32, iss. 8, p. 1182-1191.

Sayyed-Ahmad, A., K. Tuncay and P. Ortoleva. 2007. Transcriptional Regulatory Network Refinement and Quantification Through Kinetic Modeling, Gene Expression Microarray Data and Information Theory. BMC Bioinformatics, 8:20, doi:10.1186/1471-2105-8-20.

Qu, K., A.E. Abi Haidar, J. Fan, D. Basu, G. Lin, L. Ensman, M. Jolly, P. Ortoleva. 2007. Cancer Onset and Progression: A Genome-Wide, Nonlinear Dynamical Systems Perspective on Onconetworks. J. Theoret. Bio. May 21;246(2):234

Comer, J. and P. Ortoleva. 2007. Coexistence of Twisted and Untwisted Crystals: An Impurity/Structural Order Model with Implications for Agate Patterns. American Mineralogist. Vol. 92, p. 1952–1957.

Fan, J., K. Tuncay and P. Ortoleva. 2007. Chromosome Segregation in E. coli Division: A Free Energy-Driven String Model. J. Comp. Bio. and Chem. 31:257-264

Qu, K., and P. Ortoleva. 2007. Understanding Stem Cell Differentiation through Self-Organization Theory. J. Theoret. Bio. (in press).

Iyengar, S. S. and P. Ortoleva. 2007. Multiscale Theory of Collective and Single-Particle Modes in Quantum Nanosystem. J. Chem. Phys. (in press).

Sayyed-Ahmad, A., Y. Miao, and P. Ortoleva. 2008. Poisson-Boltzmann Theory of Bionanosystems. Commun. Comp. Phys., 3, pp. 1100-1116.

Miao, Y. and P. Ortoleva (2008). Molecular Dynamics/Order Parameter eXtrapolation (MD/OPX) for Bionanosystem Simulations. J. Comp. Chem. (in press).

Pankavich, S., Y. Miao, J. Ortoleva, Z. Shreif, and P. Ortoleva. 2008. Stochastic dynamics of bionanosystems: Multi-scale analysis and specialized ensembles. J. Chem. Phys. (in press).

Shreif, Z. and P. Ortoleva. 2008. Computer-Aided Design of Nanocapsules for Therapeutic Delivery. Comp. Math. Methods in Med. (accepted).