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Items: 12

1.

A preconditioning scheme for minimum energy path finding methods.

Makri S, Ortner C, Kermode JR.

J Chem Phys. 2019 Mar 7;150(9):094109. doi: 10.1063/1.5064465.

PMID:
30849914
2.

Multiscale simulations of critical interfacial failure in carbon nanotube-polymer composites.

Gołębiowski JR, Kermode JR, Mostofi AA, Haynes PD.

J Chem Phys. 2018 Dec 14;149(22):224102. doi: 10.1063/1.5035508.

3.

Accelerating multiscale modelling of fluids with on-the-fly Gaussian process regression.

Stephenson D, Kermode JR, Lockerby DA.

Microfluid Nanofluidics. 2018;22(12):139. doi: 10.1007/s10404-018-2164-z. Epub 2018 Nov 16.

4.

Machine learning unifies the modeling of materials and molecules.

Bartók AP, De S, Poelking C, Bernstein N, Kermode JR, Csányi G, Ceriotti M.

Sci Adv. 2017 Dec 13;3(12):e1701816. doi: 10.1126/sciadv.1701816. eCollection 2017 Dec.

5.

In situ stable crack growth at the micron scale.

Sernicola G, Giovannini T, Patel P, Kermode JR, Balint DS, Britton TB, Giuliani F.

Nat Commun. 2017 Jul 24;8(1):108. doi: 10.1038/s41467-017-00139-w.

6.

Low Speed Crack Propagation via Kink Formation and Advance on the Silicon (110) Cleavage Plane.

Kermode JR, Gleizer A, Kovel G, Pastewka L, Csányi G, Sherman D, De Vita A.

Phys Rev Lett. 2015 Sep 25;115(13):135501. doi: 10.1103/PhysRevLett.115.135501. Epub 2015 Sep 23.

PMID:
26451566
7.

Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces.

Li Z, Kermode JR, De Vita A.

Phys Rev Lett. 2015 Mar 6;114(9):096405. Epub 2015 Mar 6.

PMID:
25793835
8.

Accuracy of buffered-force QM/MM simulations of silica.

Peguiron A, Colombi Ciacchi L, De Vita A, Kermode JR, Moras G.

J Chem Phys. 2015 Feb 14;142(6):064116. doi: 10.1063/1.4907786.

PMID:
25681896
9.

Dissociative chemisorption of O2 inducing stress corrosion cracking in silicon crystals.

Gleizer A, Peralta G, Kermode JR, De Vita A, Sherman D.

Phys Rev Lett. 2014 Mar 21;112(11):115501. Epub 2014 Mar 18.

PMID:
24702387
10.

Macroscopic scattering of cracks initiated at single impurity atoms.

Kermode JR, Ben-Bashat L, Atrash F, Cilliers JJ, Sherman D, De Vita A.

Nat Commun. 2013;4:2441. doi: 10.1038/ncomms3441.

PMID:
24026345
11.

A first principles based polarizable O(N) interatomic force field for bulk silica.

Kermode JR, Cereda S, Tangney P, De Vita A.

J Chem Phys. 2010 Sep 7;133(9):094102. doi: 10.1063/1.3475565.

PMID:
20831310
12.

Intramural delivery of agent via a novel drug-delivery sleeve. Histological and functional evaluation.

Moura A, Lam JY, Hébert D, Kermode JR, Grant GW, Robitaille D, Klein EJ, Yock PG, Simpson JB, Kaplan AV.

Circulation. 1995 Oct 15;92(8):2299-305.

PMID:
7554215

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