Canlyniadau Chwilio - Al-Hamdani, Yasmine S.

Unravelling H$_2$ chemisorption and physisorption on metal decorated graphene using quantum Monte Carlo gan Al-Hamdani, Yasmine S., Zen, Andrea, Alfé, Dario

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Towards viable H$_2$ storage in Ca decorated low-dimensional materials with insights from reference quantum Monte Carlo gan Al-Hamdani, Yasmine S., Alfè, Dario, Zen, Andrea

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Mechanisms of adsorbing hydrogen gas on metal decorated graphene gan Al-Hamdani, Yasmine S., Zen, Andrea, Michaelides, Angelos, Alfè, Dario

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Systematic discrepancies between reference methods for non-covalent interactions within the S66 dataset gan Shi, Benjamin X., Della Pia, Flaviano, Al-Hamdani, Yasmine S., Michaelides, Angelos, Alfè, Dario, Zen, Andrea

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Cooperative CO$_2$ capture via oxalate formation on metal-decorated graphene gan Popoola, Inioluwa Christianah, Shi, Benjamin Xu, Berger, Fabian, Zen, Andrea, Alfè, Dario, Michaelides, Angelos, Al-Hamdani, Yasmine S., .

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Properties of the water to boron nitride interaction: from zero to two dimensions with benchmark accuracy gan Al-Hamdani, Yasmine S., Rossi, Mariana, Alfè, Dario, Tsatsoulis, Theodoros, Ramberger, Benjamin, Brandenburg, J. Gerit, Zen, Andrea, Kresse, Georg, Grüneis, Andreas, Tkatchenko, Alexandre, Michaelides, Angelos

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Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer gan Della Pia, Flaviano, Shi, Benjamin X., Al-Hamdani, Yasmine S., Alfè, Dario, Anderson, Tyler A., Barborini, Matteo, Benali, Anouar, Casula, Michele, Drummond, Neil D., Dubecký, Matúš, Filippi, Claudia, Kent, Paul R. C., Krogel, Jaron T., Ríos, Pablo López, Lüchow, Arne, Luo, Ye, Michaelides, Angelos, Mitas, Lubos, Nakano, Kosuke, Needs, Richard J., Per, Manolo C., Scemama, Anthony, Schultze, Jil, Shinde, Ravindra, Slootman, Emiel, Sorella, Sandro, Tkatchenko, Alexandre, Towler, Mike, Umrigar, Cyrus J., Wagner, Lucas K., Wheeler, William A., Zhou, Haihan, Zen, Andrea

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