Research output per year
Research output per year
Search results
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2010
Hybrid Quantum/Classical Modeling of Material Systems: The “Learn on the Fly” Molecular Dynamics Scheme
Moras, G., Choudhury, R., Kermode, J., Csanyi, G., Payne, M. C. & De Vita, A., 2010, Trends in Computational Nanomechanics: Transcending Length and Time Scales. Dumitrica, T. (ed.). Springer, Vol. 9. p. 1-23 23 p. (Challenges and Advances in Computational Chemistry and Physics; vol. 9).Research output: Chapter in Book/Report/Conference proceeding › Chapter
3 Citations (Scopus) -
2009
DFT Embedding and Coarse Graining Techniques
Kermode, J., Winfield, S., Csanyi, G. & Payne, M. C., 2009, Multiscale Simulation Methods in Molecular Sciences. Grotendorst, J., Attig, N., Blügel, S. & Marx, D. (eds.). Jülich: NIC, Vol. 42. p. 215-228Research output: Chapter in Book/Report/Conference proceeding › Chapter