-
Replica state exchange metadynamics for improving the convergence of free energy estimates.
R Galvelis, and Y Sugita.
J. Comput. Chem., 36, 1446-1455 (2015).
-
Impact of Functionalized Linkers on the Energy Landscape of ZIFs.
R Galvelis, B Slater, R Chaudret, B Creton, C Nieto-Draghi, and C Mellot-Draznieks.
CrystEngComm, 15, 9603-9612 (2013).
-
Flexibility and Swing Effect on the Adsorption of Energy-Related Gases on ZIF 8: Combined Experimental and Simulation Study.
D Fairen-Jimenez, R Galvelis, A Torrisi, AD Gellan, MT Wharmby, P Wright, C Mellot-Draznieks, and T Duren.
Dalton Trans., 41, 10752-10762 (2012).
-
Prediction on the Existence and Chemical Stability of Cuprous Fluoride.
A Walsh, CRA Catlow, R Galvelis, DO Scanlon, F Schiffmann, AA Sokol, and SM Woodley.
Chem. Sci., 3, 2565-2569 (2012).
-
Exceptionally Low Shear Modulus in a Prototypical Imidazole-Based Metal-Organic Framework.
JC Tan, B Civalleri, CC Lin, L Valenzano, R Galvelis, PF Chen, TD Bennett, C Mellot-Draznieks, CM Zicovich-Wilson, and AK Cheetham.
Phys. Rev. Lett., 108, 095502 (2012).
-
Comparison of the Relative Stability of Zinc and Lithium-Boron Zeolitic Imidazolate Frameworks.
R Galvelis, B Slater, AK Cheetham, and C Mellot-Draznieks.
CrystEngComm, 14, 374-378 (2011).
-
Mechanical Properties of Dense Zeolitic Imidazolate Frameworks (ZIFs): A High‐Pressure X‐ray Diffraction, Nanoindentation and Computational Study of the Zinc Framework Zn(Im)2, and its Lithium-Boron Analogue, LiB (Im)4.
TD Bennett, JC Tan, SA Moggach, R Galvelis, C Mellot‐Draznieks, BA Reisner, A Thirumurugan, DR Allan, and AK Cheetham.
Chem. - Eur. J., 16, 10684-10690 (2010).
-
Deposition of BaHfO3 Dielectric Layers for Microelectronic Applications by Pulsed Liquid Injection MOCVD.
G Lupina, M Lukosius, C Wenger, P Dudek, G Kozlowski, HJ Mussig, A Abrutis, R Galvelis, T Katkus, Z Saltyte, and V Kubilius.
Chem. Vap. Deposition, 15, 167-170 (2009).
-
Chemical Vapour Deposition of Praseodymium Oxide Films on Silicon: Influence of Temperature and Oxygen Pressure.
A Abrutis, M Lukosius, Z Saltyte, R Galvelis, PK Baumann, M Schumacher, and J Lindner.
Thin Solid Films, 516, 4758-4764 (2008).
