Density matrix renormalization group calculations of the low-lying excitations and non-linear optical properties of poly(para-phenylene)BARFORD, W; BURSILL, R. J; LAVRENTIEV, M. Yu et al.Journal of physics. Condensed matter (Print). 1998, Vol 10, Num 28, pp 6429-6446, issn 0953-8984Article

Peierls instabilities in one-dimensional systems with Jahn-Teller-active monomersLAVRENTIEV, M. YU; KÖPPEL, H; CEDERBAUM, L. S et al.Zeitschrift für Physik. B, Condensed matter. 1993, Vol 91, Num 4, pp 481-492, issn 0722-3277Article

Magnetic origin of nano-clustering and point defect interaction in Fe-Cr alloys : an ab-initio studyNGUYEN-MANH, D; LAVRENTIEV, M. Yu; DUDAREV, S. L et al.Journal of computer-aided materials design. 2007, Vol 14, pp 159-169, issn 0928-1045, 11 p., SUP1Conference Paper

Beyond the point defect limit: solid solutions, phase diagrams and trace-element partitioning : Complex oxide: defect chemistry, transport and chemical reactionLAVRENTIEV, M. Yu; ALLAN, N. L; PURTON, J. A et al.PCCP. Physical chemistry chemical physics (Print). 2003, Vol 5, Num 11, pp 2190-2196, issn 1463-9076, 7 p.Conference Paper

The Fe-Cr system : atomistic modelling of thermodynamics and kinetics of phase transformations : Materials subjected to fast neutron irradiationNGUYEN-MANH, Duc; LAVRENTIEV, M. Yu; DUDAREV, Sergei L et al.Comptes rendus. Physique. 2008, Vol 9, Num 3-4, pp 379-388, issn 1631-0705, 10 p.Article

Dynamical properties of the molecular crystals with electrostatic interaction taken into account: low pressure ice phases (I_h and I_c)BELOSLUDOV, V. R; LAVRENTIEV, M. YU; SYSKIN, S. A et al.Physica status solidi. B. Basic research. 1988, Vol 149, Num 1, pp 133-142, issn 0370-1972Article

Theory of clathratesBELOSLUDOV, V. R; LAVRENTIEV, M. YU; DYADIN, YU. A et al.Journal of inclusion phenomena. 1991, Vol 10, Num 4, pp 399-422, issn 0167-7861Article

Magnetic properties of point defect interaction with impurity atoms in Fe―Cr alloysNGUYEN-MANH, D; LAVRENTIEV, M. Yu; DUDAREV, S. L et al.Journal of nuclear materials. 2009, Vol 386-88, pp 60-63, issn 0022-3115, 4 p.Conference Paper

Excitonic states of poly(para-phenylene)LAVRENTIEV, M. Yu; BARFORD, W; BURSILL, R. J et al.Synthetic metals. 1999, Vol 101, Num 1-3, pp 310-311, issn 0379-6779Conference Paper

Beyond the point defect limit : Simulation methods for solid solutions and highly disordered systemsALLAN, N. L; BARRERA, G. D; LAVRENTIEV, M. Yu et al.Computational materials science. 2006, Vol 36, Num 1-2, pp 42-48, issn 0927-0256, 7 p.Conference Paper

Magnetic cluster expansion simulations of FeCr alloysLAVRENTIEV, M. Yu; DUDAREV, S. L; NGUYEN-MANH, D et al.Journal of nuclear materials. 2009, Vol 386-88, pp 22-25, issn 0022-3115, 4 p.Conference Paper

The low energy electronic structure of poly(p-phenylene vinylene)BARFORD, W; LAVRENTIEV, M. Yu; BURSILL, R. J et al.Synthetic metals. 1999, Vol 101, Num 1-3, pp 171-172, issn 0379-6779Conference Paper

Modelling phase separation in Fe-Cr system using different atomistic kinetic Monte Carlo techniquesCASTINA, N; BONNY, G; TERENTYEV, D et al.Journal of nuclear materials. 2011, Vol 417, Num 1-3, pp 1086-1089, issn 0022-3115, 4 p.Conference Paper

Numerical prediction of thermodynamic properties of iron-chromium alloys using semi-empirical cohesive models : The state of the artBONNY, G; PASIANOT, R. C; MALERBA, L et al.Journal of nuclear materials. 2009, Vol 385, Num 2, pp 268-277, issn 0022-3115, 10 p.Conference Paper

Surface diffusion and surface growth in nanofilms of mixed rocksalt oxidesHARRIS, D. J; FARROW, T. S; HARDING, J. H et al.PCCP. Physical chemistry chemical physics (Print). 2005, Vol 7, Num 8, pp 1839-1844, issn 1463-9076, 6 p.Article

Simulation of mineral solid solutions at zero and high pressure using lattice statics, lattice dynamics and Monte Carlo methodsTODOROV, I. T; ALLAN, N. L; LAVRENTIEV, M. Yu et al.Journal of physics. Condensed matter (Print). 2004, Vol 16, Num 27, pp 2751-2770, issn 0953-8984, 20 p.Article

Ab initio and Monte Carlo modeling in Fe-Cr system : Magnetic origin of anomalous thermodynamic and kinetic propertiesNGUYEN-MANH, D; LAVRENTIEV, M. Yu; DUDAREV, S. L et al.Computational materials science. 2008, Vol 44, Num 1, pp 1-8, issn 0927-0256, 8 p.Conference Paper

Atomistic simulations of surface diffusion and segregation in ceramicsLAVRENTIEV, M. Yu; ALLAN, N. L; HARDING, J. H et al.Computational materials science. 2006, Vol 36, Num 1-2, pp 54-59, issn 0927-0256, 6 p.Conference Paper

Dynamic and thermodynamic properties of clathrate hdyratesBELOSLUDOV, V. R; LAVRENTIEV, M. YU; DYADIN, YU. A et al.Journal of inclusion phenomena. 1990, Vol 8, Num 1-2, pp 59-69, issn 0167-7861, 11 p.Article

Electronic structure and multimode Peierls distortions in the one-dimensional polydecker [Ni(H₅C₃B₂)]∞LAVRENTIEV, M. YU; KÖPPEL, H; BÖHM, M. C et al.Synthetic metals. 1993, Vol 57, Num 2-3, pp 4644-4649, issn 0379-6779Conference Paper