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Higher-Order Thermal Transport Theory for Phonon Thermal Transport in Semiconductors Using Lattice Dynamics Calculations and the Boltzmann Transport Equation
作者Ankit Jain; Yagyank Srivastava; Amey G. Gokhale; Nidheesh Virakante; Hardik L. Kagdada
作者单位1. Mechanical Engineering Department, IIT Bombay, Mumbai, India
Quantum Computing for Chemical Applications: Variational Algorithms and Beyond
作者Sumit Kumar; Kalpak Ghosh; Seung-Cheol Lee; Sharma S. R. K. C. Yamijala
作者单位1. Department of Chemistry, Indian Institute of Technology Madras, Chennai, India; 2. Centre for Quantum Information, Communication, and Computing, Indian Institute of Technology Madras, Chennai, India; 3. Center for Electronic Materials, Korea Institute of Science and Technology, Seoul, South Korea; 4. Indo Korea Science and Technology Center, Korea Insitute of Science and Technology, Bangalore, India; 5. Centre for Molecular Materials and Functions, Indian Institute of Technology Madras, Chennai, India; 6. Centre for Atomistic Modelling and Materials Design, Indian Institute of Technology Madras, Chennai, India
Deep Learning for Computational Heterogeneous Catalysis: Fundamentals and Applications
作者Gaurav Deshmukh; Pushkar Ghanekar; Jeffrey Greeley
作者单位1. Department of Chemical and Biological Engineering, Northwestern University, Evanston, USA; 2. Davidson School of Chemical Engineering, Purdue University, West Lafayette, USA
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