Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks von Pukrittayakamee, A., Malshe, M., Hagan, M., Raff, L. M., Narulkar, R., Bukkapatnum, S., Komanduri, R.

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Graphitization as a precursor to wear of diamond in machining pure iron: A molecular dynamics investigation von Narulkar, R., Bukkapatnam, S., Raff, L.M., Komanduri, R.

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Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations von Malshe, M., Narulkar, R., Raff, L. M., Hagan, M., Bukkapatnam, S., Agrawal, P. M., Komanduri, R.

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Molecular dynamics (MD) simulation of uniaxial tension of some single-crystal cubic metals at nanolevel von Komanduri, R., Chandrasekaran, N., Raff, L.M.

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Micromachining of silicon by short-pulse laser ablation in air and under water von Choo, K.L., Ogawa, Y., Kanbargi, G., Otra, V., Raff, L.M., Komanduri, R.

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M.D. Simulation of nanometric cutting of single crystal aluminum–effect of crystal orientation and direction of cutting von Komanduri, R, Chandrasekaran, N, Raff, L.M

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Effect of tool geometry in nanometric cutting: a molecular dynamics simulation approach von Komanduri, R., Chandrasekaran, N., Raff, L.M.

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Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks von Raff, L M, Malshe, M, Hagan, M, Doughan, D I, Rockley, M G, Komanduri, R

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Parametrization of analytic interatomic potential functions using neural networks von Malshe, M, Narulkar, R, Raff, L M, Hagan, M, Bukkapatnam, S, Komanduri, R

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A review on the molecular dynamics simulation of machining at the atomic scale von Komanduri, R, Raff, L M

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Molecular dynamics (MD) simulations of the dependence of C–C bond lengths and bond angles on the tensile strain in single-wall carbon nanotubes (SWCNT) von Agrawal, Paras M., Sudalayandi, B.S., Raff, L.M., Komanduri, R.

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MD simulation of indentation and scratching of single crystal aluminum von Komanduri, R., Chandrasekaran, N., Raff, L.M.

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A Self-Starting Method for Obtaining Analytic Potential-Energy Surfaces from ab Initio Electronic Structure Calculations von Agrawal, P. M, Malshe, M, Narulkar, R, Raff, L. M, Hagan, M, Bukkapatnum, S, Komanduri, R

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Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree-Fock energies, and small subsets of the database von Malshe, M., Pukrittayakamee, A., Raff, L. M., Hagan, M., Bukkapatnam, S., Komanduri, R.

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A phenomenological model of polishing of silicon with diamond abrasive von Agrawal, Paras M., Narulkar, R., Bukkapatnam, S., Raff, L.M., Komanduri, R.

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Molecular dynamic simulations of uniaxial tension at nanoscale of semiconductor materials for micro-electro-mechanical systems (MEMS) applications von Komanduri, R, Chandrasekaran, N, Raff, L.M

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MD simulation of exit failure in nanometric cutting von Komanduri, R, Chandrasekaran, N, Raff, L.M

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The significance of normal rake in oblique machining von Komanduri, R., Lee, M., Raff, L.M.

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Molecular dynamics investigations on polishing of a silicon wafer with a diamond abrasive von Agrawal, Paras M., Raff, L. M., Bukkapatnam, S., Komanduri, R.

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Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and... von Malshe, M., Raff, L. M., Rockley, M. G., Hagan, M., Agrawal, Paras M., Komanduri, R.

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