Zen A - Search Results

1

Defect-Dependent Corrugation in Graphene.

Thiemann FL, Rowe P, Zen A, Müller EA, Michaelides A. Thiemann FL, et al. Among authors: zen a. Nano Lett. 2021 Oct 13;21(19):8143-8150. doi: 10.1021/acs.nanolett.1c02585. Epub 2021 Sep 14. Nano Lett. 2021. PMID: 34519502

2

Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.

Sosso GC, Chen J, Cox SJ, Fitzner M, Pedevilla P, Zen A, Michaelides A. Sosso GC, et al. Among authors: zen a. Chem Rev. 2016 Jun 22;116(12):7078-116. doi: 10.1021/acs.chemrev.5b00744. Epub 2016 May 26. Chem Rev. 2016. PMID: 27228560 Free PMC article.

3

Toward Accurate Adsorption Energetics on Clay Surfaces.

Zen A, Roch LM, Cox SJ, Hu XL, Sorella S, Alfè D, Michaelides A. Zen A, et al. J Phys Chem C Nanomater Interfaces. 2016 Nov 23;120(46):26402-26413. doi: 10.1021/acs.jpcc.6b09559. Epub 2016 Oct 31. J Phys Chem C Nanomater Interfaces. 2016. PMID: 27917256 Free PMC article.

4

Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy.

Al-Hamdani YS, Rossi M, Alfè D, Tsatsoulis T, Ramberger B, Brandenburg JG, Zen A, Kresse G, Grüneis A, Tkatchenko A, Michaelides A. Al-Hamdani YS, et al. Among authors: zen a. J Chem Phys. 2017 Jul 28;147(4):044710. doi: 10.1063/1.4985878. J Chem Phys. 2017. PMID: 28764374

5

Ice formation on kaolinite: Insights from molecular dynamics simulations.

Sosso GC, Tribello GA, Zen A, Pedevilla P, Michaelides A. Sosso GC, et al. Among authors: zen a. J Chem Phys. 2016 Dec 7;145(21):211927. doi: 10.1063/1.4968796. J Chem Phys. 2016. PMID: 28799377

6

Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces.

Fitzner M, Joly L, Ma M, Sosso GC, Zen A, Michaelides A. Fitzner M, et al. Among authors: zen a. J Chem Phys. 2017 Sep 28;147(12):121102. doi: 10.1063/1.4997698. J Chem Phys. 2017. PMID: 28964019

7

Fast and accurate quantum Monte Carlo for molecular crystals.

Zen A, Brandenburg JG, Klimeš J, Tkatchenko A, Alfè D, Michaelides A. Zen A, et al. Proc Natl Acad Sci U S A. 2018 Feb 20;115(8):1724-1729. doi: 10.1073/pnas.1715434115. Epub 2018 Feb 5. Proc Natl Acad Sci U S A. 2018. PMID: 29432177 Free PMC article.

8

Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods.

Brandenburg JG, Zen A, Fitzner M, Ramberger B, Kresse G, Tsatsoulis T, Grüneis A, Michaelides A, Alfè D. Brandenburg JG, et al. Among authors: zen a. J Phys Chem Lett. 2019 Feb 7;10(3):358-368. doi: 10.1021/acs.jpclett.8b03679. Epub 2019 Jan 10. J Phys Chem Lett. 2019. PMID: 30615460

9

A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias.

Zen A, Brandenburg JG, Michaelides A, Alfè D. Zen A, et al. J Chem Phys. 2019 Oct 7;151(13):134105. doi: 10.1063/1.5119729. J Chem Phys. 2019. PMID: 31594339

10

Interaction between water and carbon nanostructures: How good are current density functional approximations?

Brandenburg JG, Zen A, Alfè D, Michaelides A. Brandenburg JG, et al. Among authors: zen a. J Chem Phys. 2019 Oct 28;151(16):164702. doi: 10.1063/1.5121370. J Chem Phys. 2019. PMID: 31675894

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