Computational Design, Understanding and Discovery of Novel Materials VII
ORAL · Z58 · ID: 2252912
Presentations
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A Comparative Study on Thermal Conductivity of TiO<sub>2</sub> and MoS<sub>2</sub> Monolayer Using MD Simulation
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Publication: 1. Estévez Ruiz EP, Lago JL, Thirumuruganandham SP. Experimental Studies on TiO2 NT with Metal Dopants through Co-Precipitation, Sol–Gel, Hydrothermal Scheme and Corresponding Computational Molecular Evaluations. Materials. 2023; 16(8):3076. https://doi.org/10.3390/ma16083076
2. Ruiz, Eduardo Patricio Estévez, Saravana Prakash Thirumuruganandham, and Joaquín Cayetano López Lago. 2023. "Structural and Electromagnetic Signatures of Anatase and Rutile NTs and Sheets in Three Different Water Models under Different Temperature Conditions" International Journal of Molecular Sciences 24, no. 19: 14878. https://doi.org/10.3390/ijms241914878Presenters
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Saravana Prakash Thirumuruganandham
- Centro de Investigación de Ciencias Humanas y de la Educación (CICHE), Universidad Indoamérica, Ambato 180103, Ecuador
Authors
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Saravana Prakash Thirumuruganandham
- Centro de Investigación de Ciencias Humanas y de la Educación (CICHE), Universidad Indoamérica, Ambato 180103, Ecuador
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Eduardo P Estévez Ruiz
- Centro de Investigación de Ciencias Humanas y de la Educación (CICHE), Universidad Indoamérica, Ambato 180103, Ecuador
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Joaquín C Lopez
- Grupo de Polímeros, Departamento de Física y Ciencias de la Tierra, Escuela Universitaria Politécnica, Universidade da Coruña, 15471 Ferrol, Spain
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Predicting Single-Phase Synthesizability of Hexagonal High-Entropy Borides
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Presenters
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Luke C Moore
- University of Alabama at Birmingham
Authors
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Luke C Moore
- University of Alabama at Birmingham
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Bria C Storr
- University of Alabama at Birmingham
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Jayden E Ratcliffe
- University of Alabama at Birmingham
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Yogesh K Vohra
- University of Alabama at Birmingham
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Shane A Catledge
- University of Alabama at Birmingham
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Cheng-Chien Chen
- University of Alabama at Birmingham
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Electrical transport in graphene on high-k substrates
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Presenters
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Xueshi Gao
- Ohio State University
Authors
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Xueshi Gao
- Ohio State University
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Kenji Watanabe
- National Institute for Materials Science
- NIMS
- Research Center for Electronic and Optical Materials, National Institute for Materials Science
- Research Center for Functional Materials, National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044, Japan
- National Institute for Material Science
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Takashi Taniguchi
- Kyoto Univ
- National Institute for Materials Science
- Research Center for Materials Nanoarchitectonics
- Research Center for Materials Nanoarchitectonics, National Institute for Materials Science
- National Institute for Materials Sciences
- NIMS
- International Center for Materials Nanoarchitectonics, National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044, Japan
- National Institute for Material Science
- International Center for Materials Nanoarchitectonics, NIMS, Japan
- International Center for Materials Nanoarchitectonics, Tsukuba
- National Institue for Materials Science
- Kyoto University
- National Institute of Materials Science
- International Center for Materials Nanoarchitectonics and National Institute for Materials Science
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Chun Ning Lau
- Ohio State University
- Ohio State Univ - Columbus
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High-Throughput Search and Prediction of New Two-Dimensional 4f-Materials
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Presenters
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Lin Hou
- Tulane University
- Los Alamos National Laboratory
Authors
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Lin Hou
- Tulane University
- Los Alamos National Laboratory
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Ying Wai Li
- Los Alamos National Laboratory
- los alamos national laboratory
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Christopher A Lane
- Los Alamos National Laboratory
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Abstract Withdrawn
ORAL · Withdrawn
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Optimizing second harmonic generation in inorganic crystals: dimensionality effects and structural metrics
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Presenters
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Yuanxi Wang
- University of North Texas
Authors
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Yuanxi Wang
- University of North Texas
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Computational Synthesis of Perovskene Quantum Materials
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Presenters
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Chinedu E Ekuma
- Lehigh University
Authors
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Chinedu E Ekuma
- Lehigh University
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Srihari M Kastuar
- Lehigh University
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Sina Najmaei
- US Army Res Dev & Eng Command
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