Explore a selection of works produced by faculty in the Data Science program at Michigan Technological University.

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Submissions from 2017

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Effect of temperature on elastic and yielding behavior of epoxy using a reactive force field, Olanrewaju Aluko, Gowtham S, and Gregory M. Odegard

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Multiscale modeling and analysis of graphene nanoplatelet/carbon fiber/epoxy hybrid composite, Olanrewaju Aluko, Gowtham S, and Gregory M. Odegard

Submissions from 2016

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Molecular dynamics model of graphene nanoplatelet in EPON 862/DETDA polymer, Olanrewaju Aluko, Gowtham S, and Gregory M. Odegard

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Predicting thermal conductivity of graphene nanoplatelet/epoxy nanocomposite using non-equilibrium molecular dynamics, Sorayot Chinkanjanarot, Matthew S. Radue, Danielle René Klimek-McDonald, Gowtham S, Julia A. King, and Gregory M. Odegard

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Mechanical properties of graphene nanoplatelet/carbon fiber/epoxy hybrid composites: multiscale modeling and experiments, Cameron M. Hadden, Danielle René Klimek-McDonald, Julia A. King, Alex M. Reichanadter, Ibrahim Miskioglu, Gowtham S, Evan J. Pineda, and Gregory M. Odegard

Submissions from 2015

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A computational molecular dynamic study on epoxy-based network: thermo-mechanical properties, Olanrewaju Aluko, Gowtham S, Sorayot Chinkanjanarot, Matthew S. Radue, and Gregory M. Odegard

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A molecular dynamic modelling of cross-linked epoxy resin using reactive force field: thermo-mechanical properties, Olanrewaju Aluko, Gowtham S, and Gregory M. Odegard

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Mechanical properties of graphene nanoplatelet/carbon fiber/epoxy hybrid composites: multiscale modeling and experiments, Cameron M. Hadden, Danielle René Klimek-McDonald, Evan J. Pineda, Julia A. King, Alex M. Reichanadter, Ibrahim Miskioglu, Gowtham S, and Gregory M. Odegard

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Mechanical properties of graphene nanoplatelet/carbon fiber/epoxy hybrid composites: multiscale modeling and experiments, Cameron M. Hadden, Danielle René Klimek-McDonald, Evan J. Pineda, Julia A. King, Alex M. Reichanadter, Ibrahim Miskioglu, Gowtham S, and Gregory M. Odegard

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Mechanical properties of graphene nanoplatelet/carbon fiber/epoxy hybrid composites: multiscale modeling and experiments, Cameron M. Hadden, Danielle René Klimek-McDonald, Evan J. Pineda, Julia A. King, Alex M. Reichanadter, Ibrahim Miskioglu, Gowtham S, and Gregory M. Odegard

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Applying reactive molecular dynamics to predict and compare the mechanical response of di-, tri-, and tetra-functional resin epoxies, Matthew S. Radue, Benjamin D. Jensen, Gowtham S, Gregory M. Odegard, Danielle René Klimek-McDonald, and Julia A. King

Submissions from 2014

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Dynamical instability and Fermi surface topology in Ni2FeGa from first principles, Satyananda Chabungbam, Gowtham S, and Munima Sahariah

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Predicting mechanical response of crosslinked epoxy using ReaxFF, Gregory M. Odegard, Benjamin D. Jensen, Gowtham S, Jianyang Wu, Jianying He, and Zhiliang Zhang

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Predicting mechanical response of crosslinked epoxy using ReaxFF, Gregory M. Odegard, Benjamin D. Jensen, Gowtham S, Jianyang Wu, Jianying He, and Zhiliang Zhang

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Predicting thermo-mechanical response of crosslinked epoxy using ReaxFF, Gregory M. Odegard, Benjamin D. Jensen, Gowtham S, Jianyang Wu, Jianying He, and Zhiliang Zhang

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Revision Control System (RCS) in computational sciences and engineering curriculum, Gowtham S

Submissions from 2013

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Applicability of carbon and boron nitride nanotubes as biosensors: Effect of biomolecular adsorption on the transport properties of carbon and boron nitride nanotubes, Xiaoliang Zhong, Saikat Mukhopadhyay, Gowtham S, Ravindra Pandey, and Shashi P. Karna

Submissions from 2012

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Electronic structure calculations of substitutional and interstitial hydrogen in Nb, Pradeep Khowash, Gowtham S, and Ravindra Pandey

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Diffusion of water molecules in amorphous silica, Sarah Kostinski, Ravindra Pandey, Gowtham S, Udo Pernisz, and Alexander Kostinski

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First-principles computation of structural, elastic and magnetic properties of Ni2FeGa across the martensitic transformation, Munima Sahariah, Subhradip Ghosh, Chabungbam S. Singh, Gowtham S, and Ravindra Pandey

Submissions from 2010

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A numerical investigation into possible mechanisms by that the A629P mutant of ATP7A causes Menkes Disease, Maksim Kouza, Gowtham S, Max Seel, and Ulrich H.E Hansmann

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Theoretical study of small clusters of indium oxide: InO, In2O, InO2, In2O2, Saikat Mukhopadhyay, Gowtham S, Ravindra Pandey, and Aurora Costales

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Physisorption of nucleic acid bases on boron nitride nanotubes: a new class of hybrid nano-bio materials, Saikat Mukhopadhyay, Gowtham S, Ralph H. Scheicher, Ravindra Pandey, and Shashi P. Karna

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Theoretical study of physisorption of nucleobases on boron nitride nanotubes: a new class of hybrid nano-biomaterials, Saikat Mukhopadhyay, Gowtham S, Ralph H. Scheicher, Ravindra Pandey, and Shashi P. Karna

Submissions from 2008

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First-principles study of physisorption of nucleic acid bases on small-diameter carbon nanotubes, Gowtham S, Ralph H. Scheicher, Ravindra Pandey, Shashi P. Karna, and Rajeev Ahuja

Submissions from 2007

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Interaction of biological matter with nanomaterials: a first-principles approach, Gowtham S, Ralph H. Scheicher, Rajeev Ahuja, and Ravindra Pandey

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First-principles study of nucleic acid bases physisorbed on graphene, Gowtham S, Ralph H. Scheicher, Rajeev Ahuja, Ravindra Pandey, and Shashi P. Karna

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Physisorption of nucleobases on graphene: density-functional calculations, Gowtham S, Ralph H. Scheicher, Rajeev Ahuja, Ravindra Pandey, and Shashi P. Karna

Submissions from 2006

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Geometry, electronic properties, and thermodynamics of pure and Al-doped Li clusters, Mal-Soon Lee, Gowtham S, Haiying He, Kah Chun Lau, Lin Pan, and D G. Kanhere

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DNA-CNT interaction from density functional theory, Ralph H. Scheicher, Gowtham S, Rajeev Ahuja, and Ravi Pandey

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DNA-CNT interaction - a density functional approach, Gowtham S, Rajeev Ahuja, and Ravindra Pandey

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Sequential oxidation of gallium oxide clusters - a first-principles study, Gowtham S, Aurora Costales, and Ravindra Pandey

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Theoretical study of sequential oxidation of clusters of gallium oxide: Ga3On (n: 4–8), Gowtham S, Aurora Costales, and Ravindra Pandey

Submissions from 2005

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Theoretical study of gallium oxide clusters, Gowtham S, Aurora Costales, Mrinalini Deshpande, and Ravindra Pandey

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Structural, energetic, electronic, bonding, and vibrational properties of Ga3O, Ga3O2, Ga3O3, Ga2O3, and GaO3 clusters, Gowtham S, Mrinalini Deshpande, Aurora Costales, and Ravindra Pandey

Submissions from 2004

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Theoretical study of neutral and ionic states of small clusters of GamOn (m, n = 1, 2), Gowtham S, Aurora Costales, and Ravindra Pandey

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Structure, energetics, electronic, and hydration properties of neutral and anionic Al3O6, Al3O7, and Al3O8 clusters, Gowtham S, Kah Chun Lau, Mrinalini Deshpande, Ravindra Pandey, Anita K. Gianotto, and Gary S. Groenewold