Milind Malshe, Ph.D.
Affiliations: | 2009 | Mechanical Engineering | Oklahoma State University, Stillwater, OK, United States |
Area:
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"Milind Malshe"Parents
Sign in to add mentor| Ranga Komanduri | grad student | 2009 | Oklahoma State University | |
| (Development of interatomic potentials based on ab initio methods and neural networks for molecular dynamics simulations.) | ||||
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Publications
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| Malshe M, Raff LM, Hagan M, et al. (2010) Input vector optimization of feed-forward neural networks for fitting ab initio potential-energy databases. The Journal of Chemical Physics. 132: 204103 |
| Malshe M, Pukrittayakamee A, Raff LM, et al. (2009) Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree-Fock energies, and small subsets of the database. The Journal of Chemical Physics. 131: 124127 |
| Dawson D, Yang H, Malshe M, et al. (2009) Linear affine transformations between 3-lead (Frank XYZ leads) vectorcardiogram and 12-lead electrocardiogram signals. Journal of Electrocardiology. 42: 622-30 |
| Malshe M, Narulkar R, Raff LM, et al. (2009) Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations. The Journal of Chemical Physics. 130: 184102 |
| Pukrittayakamee A, Malshe M, Hagan M, et al. (2009) Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks. The Journal of Chemical Physics. 130: 134101 |
| Agrawal PM, Malshe M, Narulkar R, et al. (2009) A self-starting method for obtaining analytic potential-energy surfaces from ab initio electronic structure calculations. The Journal of Physical Chemistry. A. 113: 869-77 |
| Malshe M, Narulkar R, Raff LM, et al. (2008) Parametrization of analytic interatomic potential functions using neural networks. The Journal of Chemical Physics. 129: 044111 |
| Bukkapatnam S, Komanduri R, Yang H, et al. (2008) Classification of atrial fibrillation episodes from sparse electrocardiogram data. Journal of Electrocardiology. 41: 292-9 |
| Malshe M, Raff LM, Rockley MG, et al. (2007) Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feedforward neural networks. II. Numerical application of the method. The Journal of Chemical Physics. 127: 134105 |
| Bukkapatnam S, Malshe M, Agrawal PM, et al. (2006) Parametrization of interatomic potential functions using a genetic algorithm accelerated with a neural network Physical Review B - Condensed Matter and Materials Physics. 74 |