Probert MIJ - Search Results

1

The emergence of sequence-dependent structural motifs in stretched, torsionally constrained DNA.

Shepherd JW, Greenall RJ, Probert MIJ, Noy A, Leake MC. Shepherd JW, et al. Among authors: probert mij. Nucleic Acids Res. 2020 Feb 28;48(4):1748-1763. doi: 10.1093/nar/gkz1227. Nucleic Acids Res. 2020. PMID: 31930331 Free PMC article.

2

Quantum diffusion of H/D on Ni(111)-A partially adiabatic centroid MD study.

Hopkinson AR, Probert MIJ. Hopkinson AR, et al. Among authors: probert mij. J Chem Phys. 2018 Mar 14;148(10):102339. doi: 10.1063/1.5004801. J Chem Phys. 2018. PMID: 29544305 Free article.

3

Density functional theory in the solid state.

Hasnip PJ, Refson K, Probert MI, Yates JR, Clark SJ, Pickard CJ. Hasnip PJ, et al. Philos Trans A Math Phys Eng Sci. 2014 Feb 10;372(2011):20130270. doi: 10.1098/rsta.2013.0270. Print 2014 Mar 13. Philos Trans A Math Phys Eng Sci. 2014. PMID: 24516184 Free PMC article.

4

Effective modelling of the Seebeck coefficient of Fe₂VAl.

Naydenov GA, Hasnip PJ, Lazarov VK, Probert MIJ. Naydenov GA, et al. Among authors: probert mij. J Phys Condens Matter. 2020 Mar 20;32(12):125401. doi: 10.1088/1361-648X/ab5867. Epub 2019 Nov 18. J Phys Condens Matter. 2020. PMID: 31739289 Free article.

5

Atomistic molecular dynamics simulations of shock compressed quartz.

Farrow MR, Probert MI. Farrow MR, et al. J Chem Phys. 2011 Jul 28;135(4):044508. doi: 10.1063/1.3615526. J Chem Phys. 2011. PMID: 21806139 Free article.

6

Langevin dynamics in constant pressure extended systems.

Quigley D, Probert MI. Quigley D, et al. J Chem Phys. 2004 Jun 22;120(24):11432-41. doi: 10.1063/1.1755657. J Chem Phys. 2004. PMID: 15268177

7

An ab initio study of xenon retention in α-quartz.

Probert MI. Probert MI. J Phys Condens Matter. 2010 Jan 20;22(2):025501. doi: 10.1088/0953-8984/22/2/025501. Epub 2009 Dec 10. J Phys Condens Matter. 2010. PMID: 21386255

8

DL_MG: A Parallel Multigrid Poisson and Poisson-Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution.

Womack JC, Anton L, Dziedzic J, Hasnip PJ, Probert MIJ, Skylaris CK. Womack JC, et al. Among authors: probert mij. J Chem Theory Comput. 2018 Mar 13;14(3):1412-1432. doi: 10.1021/acs.jctc.7b01274. Epub 2018 Mar 2. J Chem Theory Comput. 2018. PMID: 29447447 Free article.

9

Off-the-shelf DFT-DISPersion methods: Are they now "on-trend" for organic molecular crystals?

Geatches D, Rosbottom I, Marchese Robinson RL, Byrne P, Hasnip P, Probert MIJ, Jochym D, Maloney A, Roberts KJ. Geatches D, et al. Among authors: probert mij. J Chem Phys. 2019 Jul 28;151(4):044106. doi: 10.1063/1.5108829. J Chem Phys. 2019. PMID: 31370509 Free article.

10

Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures.

Li XZ, Walker B, Probert MI, Pickard CJ, Needs RJ, Michaelides A. Li XZ, et al. J Phys Condens Matter. 2013 Feb 27;25(8):085402. doi: 10.1088/0953-8984/25/8/085402. Epub 2013 Jan 30. J Phys Condens Matter. 2013. PMID: 23360786 Free article.

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