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Works (7)

Machine learning based insights of seeded congruent crystal growth of LiNbO3 in glass

Acta Materialia
2024-09 | Journal article
DOI: 10.1016/j.actamat.2024.120115
Contributors: R. Thapa; M.E. McKenzie; E. Musterman; J. Kaman; V. Dierolf; H. Jain
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Simulation of multi-shell fullerenes using Machine-Learning Gaussian Approximation Potential

Carbon Trends
2023-03 | Journal article
DOI: 10.1016/j.cartre.2022.100239
Contributors: C. Ugwumadu; K. Nepal; R. Thapa; Y.G. Lee; Y. Al Majali; J. Trembly; D.A. Drabold
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Ab initio simulation of amorphous GeSe3 and GeSe4

Journal of Non-Crystalline Solids
2023-02 | Journal article
DOI: 10.1016/j.jnoncrysol.2022.121998
Contributors: R. Thapa; C. Ugwumadu; K. Nepal; D.A. Drabold; M.T.M. Shatnawi
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Realistic computer models of amorphous ZrO2 : Ta2O5 : Structural, optical, and vibrational properties

Physical Review B
2022-06-27 | Journal article
DOI: 10.1103/PhysRevB.105.224207
Contributors: Rajendra Thapa; Kiran Prasai; Riccardo Bassiri; Martin M. Fejer; D. A. Drabold
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Ab Initio Simulation of Amorphous Graphite

Physical Review Letters
2022-06-10 | Journal article
DOI: 10.1103/PhysRevLett.128.236402
Contributors: R. Thapa; C. Ugwumadu; K. Nepal; J. Trembly; D. A. Drabold
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Forced Enhanced Atomic Refinement Modeling of the Metallic Glass Cu46Zr46Al8

physica status solidi (b)
2021-09 | Journal article
DOI: 10.1002/pssb.202000415
Contributors: Rajendra Thapa; Kashi Nath Subedi; Bishal Bhattarai; David A. Drabold
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Structure and charge transport of amorphous Cu-doped Ta2O5 : An ab initio study

Physical Review Materials
2020-06-08 | Journal article
DOI: 10.1103/PhysRevMaterials.4.064603
Contributors: Rajendra Thapa; Bishal Bhattarai; M. N. Kozicki; Kashi N. Subedi; D. A. Drabold
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