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Research summary
Materials modelling with various first principles methods, including density functional theory and quantum Monte Carlo, and statistical mechanics techniques for free energies and chemical potentials. Material properties under high pressure and high temperature. Interactions between molecules and surfaces. Metal hydrides.
Materials modelling with various first principles methods, including density functional theory and quantum Monte Carlo, and statistical mechanics techniques for free energies and chemical potentials. Material properties under high pressure and high temperature. Interactions between molecules and surfaces. Metal hydrides.
Research Interests
Papers共 313 篇Author StatisticsCo-AuthorSimilar Experts
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APPLIED SURFACE SCIENCE (2024): 158913-158913
Astronomy & Geophysicsno. 3 (2024): 3.18-3.22
JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 11 (2024): 4591-4604
Materials horizons (2024)
Inioluwa Christianah Popoola, Benjamin Xu Shi, Fabian Berger,Andrea Zen,Dario Alfè,Angelos Michaelides,Yasmine S. Al-Hamdani, .
arxiv(2024)
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Surface Science Reportsno. 1 (2023): 100586-100586
arXiv (Cornell University) (2023)
arXiv (Cornell University) (2023)
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