Dr. Marcelo Andres CarignanoSenior Scientist | Theory, Modeling, and Simulation
Dr. Marcelo’s research interest centers around the application of computer based large-scale calculations to answer questions of scientific importance in general, and materials properties in particular. I pursue this interest by applying different computational methods for atomistic and coarse-grained modeling, including molecular dynamics, Monte Carlo, Brownian and stochastic dynamics simulation methods and ab-initio and density functional theory methodologies.
- Ph.D. in Physics, Universidad Nacional de La Plata. Argentina. 1992
- B.S. in Physics, Universidad Nacional de Córdoba. Argentina. 1985
Dr. Carignano worked in Purdue University (USA), Lund University (USA), University of Delaware (USA) and Northwestern University (USA). He has numerous publications in many subjects of physical chemistry and material sciences, including polymer solutions, polymer brushes, self-assembled systems, interfaces, biological systems, drug delivery systems, protein/surface interaction, polyelectrolytes, gels and viscoelastic properties, water, ice and its interfaces, plastic crystals, organic-inorganic perovskites, force-field development and atmospheric chemistry.
- "Thermal Effects on CH3NH3PbI3 Perovskite From Ab-Initio Molecular Dynamics Simulations" M.A. Carignano, A. Kachmar and J. Hutter,
J. Phys. Chem. C 119 (2015) doi:10.1021/jp510568n
- "Ab Initio Study of the Reaction of Ozone with Bromide Ion"
I. Gladich, J.S. Francisco, R.J. Buszek, M. Vazdar, M.A. Carignano and P.B. Shepson
J. Phys. Chem. A 119 (2015) doi:10.1021/jp5101279
- "Structure and dynamics of [PF6][P1,2,2,4] from molecular dynamics simulations”
J. Phys. Chem. B 117, 15176-15183 (2013). doi:10.1021/ jp407648b
- ''Effective Attractive Range and Viscoelasticity of Colloidal Gels"
P.H.S. Santos, O.H. Campanella and M.A. Carignano
Soft Matter 9 709-714 (2013) doi:10.1039/C2SM26585K