Postdoctoral Researcher Raimondas Galvelis


2012 Ph.D. (Computational Chemistry) University College London, UK
2008 B.Sc. Cum Laude (Chemistry) Vilnius University, Lithuania
2011 Visiting student at Bochum University, Germany
2010 Visiting student at ETH Zürich, Switzerland


2012 Postdoctoral fellow, RIKEN Advanced Institute for Computational Science, Japan


  1. Development of metadynamics and generalized ensemble methods.
  2. Development of QM/MM methods.


  1. Fairen-Jimenez, D., Galvelis, R., Torrisi, A., Gellan, A.D., Wharmby, M.T., Wright, P,. Mellot-Draznieks, C., Düren, T. Flexibility and swing effect on the adsorption of energy-related gases on ZIF-8: Combined experimental and simulation study. (2012) Dalton Trans. 41:10752
  2. Walsh, A., Catlow, C.R.A., Galvelis, R., Scanlon, D.O., Schiffmann, F., Sokol, A.A., Woodley, S.M. Prediction on the existence and chemical stability of cuprous fluoride. (2012) Chem. Sci. 3:2565–2569.
  3. Tan, J.C., Civalleri, B., Lin, C.C., Valenzano, L., Galvelis, R., Chen, P.F., Bennett, T.D., Mellot-Draznieks, C., Zicovich-Wilson, C.M., Cheetham, A.K. Exceptionally low shear modulus in a prototypical imidazole-based metal-organic framework. (2012) Phys. Rev. Lett. 108:095502.
  4. Galvelis, R., Slater, B., Cheetham, A.K., Mellot-Draznieks, C. Comparison of the relative stability of zinc and lithium-boron zeolitic imidazolate frameworks. (2012) CrystEngComm, 14:374–378.
  5. Bennett, T.D., Tan, J.C., Moggach, S.A., Galvelis, R., Mellot-Draznieks, C., Reisner, B.A., Thirumurugan, A., Allan, D.R., Cheetham, A.K. 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. (2010) Chem. Eur. J. 16:10684–10690.
  6. Lupina, G., Lūkošius, M., Wenger, C., Dudek, P., Kozlowski, G., Müssig, H.J., Abrutis, A., Galvelis, R., Katkus, T., Šaltytė, Z. Deposition of BaHfO3 dielectric layers for microelectronic applications by pulsed liquid injection MOCVD. (2009) Chem. Vap. Deposition 15:167–170, 2009.
  7. Abrutis, A., Lūkošius, M., Šaltytė, Z., Galvelis, R., Baumann, P.K., Schumacher, M., Lindner, J. Chemical vapour deposition of praseodymium oxide films on silicon: influence of temperature and oxygen pressure. (2008) Thin Solid Films 516:4758–4764.