Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks LM Raff, M Malshe, M Hagan, DI Doughan, MG Rockley, R Komanduri The Journal of chemical physics 122 (8), 2005 | 182 | 2005 |

Neural networks in chemical reaction dynamics L Raff OUP USA, 2012 | 175 | 2012 |

Dynamic layer rearrangement during growth of layered oxide films by molecular beam epitaxy JH Lee, G Luo, IC Tung, SH Chang, Z Luo, M Malshe, M Gadre, ... Nature materials 13 (9), 879-883, 2014 | 164 | 2014 |

Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks A Pukrittayakamee, M Malshe, M Hagan, LM Raff, R Narulkar, ... The Journal of chemical physics 130 (13), 2009 | 147 | 2009 |

Linear affine transformations between 3-lead (Frank XYZ leads) vectorcardiogram and 12-lead electrocardiogram signals D Dawson, H Yang, M Malshe, STS Bukkapatnam, B Benjamin, ... Journal of electrocardiology 42 (6), 622-630, 2009 | 107 | 2009 |

Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations M Malshe, R Narulkar, LM Raff, M Hagan, S Bukkapatnam, PM Agrawal, ... The Journal of chemical physics 130 (18), 2009 | 72 | 2009 |

Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling … M Malshe, LM Raff, MG Rockley, M Hagan, PM Agrawal, R Komanduri The Journal of chemical physics 127 (13), 2007 | 65 | 2007 |

Parametrization of analytic interatomic potential functions using neural networks M Malshe, R Narulkar, LM Raff, M Hagan, S Bukkapatnam, R Komanduri The Journal of chemical physics 129 (4), 2008 | 48 | 2008 |

Parametrization of interatomic potential functions using a genetic algorithm accelerated with a neural network S Bukkapatnam, M Malshe, PM Agrawal, LM Raff, R Komanduri Physical Review B 74 (22), 224102, 2006 | 32 | 2006 |

Classification of atrial fibrillation episodes from sparse electrocardiogram data S Bukkapatnam, R Komanduri, H Yang, P Rao, WC Lih, M Malshe, ... Journal of Electrocardiology 41 (4), 292-299, 2008 | 24 | 2008 |

Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree–Fock energies, and small subsets of the database M Malshe, A Pukrittayakamee, LM Raff, M Hagan, S Bukkapatnam, ... The Journal of chemical physics 131 (12), 2009 | 17 | 2009 |

A self-starting method for obtaining analytic potential-energy surfaces from ab initio electronic structure calculations PM Agrawal, M Malshe, R Narulkar, LM Raff, M Hagan, S Bukkapatnum, ... The Journal of Physical Chemistry A 113 (5), 869-877, 2009 | 16 | 2009 |

Recurrence quantification analysis and principal components in the detection of myocardial infarction from vectorcardiogram signals H Yang, M Malshe, STS Bukkapatnam, R Komanduri Proc. of the 3rd INFORMS Workshop on Data Mining and Health Informatics, 2008 | 15 | 2008 |

Input vector optimization of feed-forward neural networks for fitting ab initio potential-energy databases M Malshe, LM Raff, M Hagan, S Bukkapatnam, R Komanduri The Journal of chemical physics 132 (20), 2010 | 11 | 2010 |

Self-supervised Learning Approach to Detect Corrosion Products in Biofilm images MS Vidya Bommanapally, M. Ashaduzzman, Milind Malshe, Parvathi Chundi IEEE International Conference on Bioinformatics and Biomedicine (BIBM), 3555 …, 2021 | 9 | 2021 |

An AI-based approach for detecting cells and microbial byproducts in low volume scanning electron microscope images of biofilms MS Dilanga Abeyrathna, Md Ashaduzzaman, Milind Malshe, Jawaharraj Kalimuthu ... Frontiers in Microbiology 13, 2022 | 5 | 2022 |

Machine Learning in 2D Materials Science P Chundi, V Gadhamshetty, BK Jasthi, C Lushbough CRC Press, 2023 | 1 | 2023 |

Ab Initio Molecular Dynamics (AIMD)-a New Approach for Development of Accurate Potentials MM Malshe Oklahoma State University, 2004 | 1 | 2004 |

In-situ Surface X-ray Diffraction Study of Ruddlesden-Popper Series Thin Film Growth JH Lee, SH Chang, Z Luo, I Tung, M Malshe, J Jellinek, J Eastman, ... APS March Meeting Abstracts 2013, Y11. 011, 2013 | | 2013 |

Development of Interatomic Potential Functions Based on Ab Initio Methods and Neural Networks for Molecular Dynamics Simulations MM Malshe Oklahoma State University, 2009 | | 2009 |