Article

Csanyi, G and Domokos, G (2012) Nonsmooth geometry and collapse of flexible structures under smooth loads.

Bartók, AP and Kondor, R and Csányi, G (2012) On representing chemical environments.

Pártay, LB and Bartók, AP and Csányi, G (2012) On the thermodynamics of hard spheres.

Mones, L and Csányi, G (2012) Topologically invariant reaction coordinates for simulating multistate chemical reactions. J Phys Chem B, 116. pp. 14876-14885.

Bernstein, N and Várnai, C and Solt, I and Winfield, SA and Payne, MC and Simon, I and Fuxreiter, M and Csányi, G (2012) QM/MM simulation of liquid water with an adaptive quantum region. Phys Chem Chem Phys, 14. pp. 646-656.

Moseler, M and Cervantes-Sodi, F and Klemenz, A and Hofmann, S and Csanyi, G and Ferrari, AC (2011) Reply to "Comment on 'Dynamic Catalyst Restructuring during Carbon Nanotube Growth'". ACS NANO, 5. pp. 686-687. ISSN 1936-0851

Brewer, BJ and Partay, LB and Csanyi, G (2011) Diffusive nested sampling. STAT COMPUT, 21. pp. 649-656. ISSN 0960-3174

Pártay, LB and Bartók, AP and Csányi, G (2010) Efficient sampling of atomic configurational spaces. J Phys Chem B, 114. pp. 10502-10512.

Bartok, AP and Payne, MC and Kondor, R and Csanyi, G (2010) Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons. PHYS REV LETT, 104. -. ISSN 0031-9007

Bartok, AP and Payne, MC and Risi, K and Csanyi, G (2010) Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons. Physical Review Letters, 104. 136403-. ISSN 0031-9007

Cervantes-Sodi, F and McNicholas, TP and Simmons, JG and Liu, J and Csányi, G and Ferrari, AC and Curtarolo, S (2010) Viscous state effect on the activity of Fe nanocatalysts. ACS Nano, 4. pp. 6950-6956.

Michael, M and Felipe, C-S and Stephan, H and Gabor, C and Andrea C, F (2010) Dynamic catalyst restructuring during carbon nanotube growth. ACS Nano, 4. pp. 7587-7595. ISSN 1936-0851

Oborny, B and Vukov, J and Csanyi, G and Meszana, G (2009) Metapopulation dynamics across gradients – the relation between colonization and extinction in shaping the range edge. Oikos, 118. pp. 1453-1460. ISSN 0030-1299

O'Farrell, EC and Tompsett, DA and Sebastian, SE and Harrison, N and Capan, C and Balicas, L and Kuga, K and Matsuo, A and Kindo, K and Tokunaga, M and Nakatsuji, S and Csányi, G and Fisk, Z and Sutherland, ML (2009) Role of f electrons in the Fermi surface of the heavy fermion superconductor beta-YbAlB4. Phys Rev Lett, 102. 216402-. ISSN 0031-9007

O'Farrell, ECT and Tompsett, DA and Sebastian, SE and Harrison, N and Capan, C and Balicas, L and Kuga, K and Matsu, A and Kindo, K and Tokunaga, M and Nakatsuji, S and Csanyi, G and Fisk, Z and Sutherland, ML (2009) Role of electrons in the Fermi surface of the heavy fermion superconductor β-YbAlB4. Physical Review Letters, 102. 216402-. ISSN 0031-9007

Ricco, M and Belli, M and Mazzzani, D and Pontiroli, D and Quintavalle, D and Jánossy, A and Csányi, G (2009) Superionic conductivity in the Li4C60 fulleride polymer. Physical Review Letters, 102. 145901-. ISSN 0031-9007

Solt, I and Kulhánek, P and Simon, I and Winfield, S and Payne, MC and Csányi, G and Fuxreiter, M (2009) Evaluating boundary dependent errors in QM/MM simulations. J Phys Chem B, 113. pp. 5728-5735. ISSN 1520-6106

Bernstein, N and Kermode, JR and Csányi, G (2009) Hybrid atomistic simulation methods for materials systems. Reports on Progress in Physics, 72. 026501-. ISSN 0034-4885

Solt, I and Kulhanek, P and Simon, I and Winfield, S and Payne, MC and Csányi, G and Fuxreiter, M (2009) Evaluating boundary dependent errors in QM/MM simulations. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 113. pp. 5728-5735. ISSN 1520-6106

Kermode, JR and Albaret, T and Sherman, D and Bernstein, N and Gumbsch, P and Payne, MC and Csanyi, G and De Vita, A (2008) Low-speed fracture instabilities in a brittle crystal. NATURE, 455. 1224-U41. ISSN 0028-0836

Kermode, JR and Albaret, T and Sherman, D and Bernstein, N and Gumbsch, P and Payne, MC and Csanyi, G and De Vita, A (2008) Low-speed fracture instabilities in a brittle crystal. Nature, 455. pp. 1224-1227. ISSN 0028-0836

Cervantes Sodi, F and Csányi, G and Piscanec, S and Ferrari, AC (2008) Edge-functionalized and substitutionally doped graphene nanoribbons: electronic and spin properties. Physical Review B: Condensed Matter and Materials Physics, 77. 165427-. ISSN 1550-235X

Cervantes Sodi, F and Csányi, G and Piscanec, S and Ferrari, AC (2008) Electronic properties of chemically modified graphene ribbons. Physica Status Solidi B, 245. pp. 2068-2071. ISSN 0370-1972

Kis, A and Csanyi, G and Vrbanic, D and Mrzel, A and Mihailovic, D and Kulik, A and Forro, L (2007) Nanomechanical investigation of Mo6S9-xIx nanowire bundles. Small, 3. pp. 1544-1548. ISSN 1613-6810

Akrap, A and Weller, T and Ellerby, M and Saxena, SS and Csanyi, G and Forro, L (2007) C6Yb and graphite: A comparative high-pressure transport study. PHYS REV B, 76. -. ISSN 1098-0121

Cole, DJ and Payne, MC and Csányi, G and Spearing, SM and Colombi Ciacchi, L (2007) Development of a classical force field for the oxidized Si surface: application to hydrophilic wafer bonding. J Chem Phys, 127. 204704-. ISSN 0021-9606

Akrap, A and Weller, T and Ellerby, M and Saxena, SS and Csányi, G and Forro, L (2007) C6Yb and graphite:a comparative high-pressure transport study. Physical Review B: Condensed Matter and Materials Physics, 76. 045426-045431. ISSN 1098-0121

Cole, DJ and Payne, MC and Csányi, G and Spearing, SM and Colombi Ciacchi, L (2007) Development of a classical force field for the oxidized Si surface: application to hydrophilic wafer bonding. Journal of Chemical Physics, 127. 204704-. ISSN 0021-9606

Obrezanova, O and Csányi, G and Gola, JMR and Segall, MD (2007) Gaussian processes: a method for automatic QSAR modeling of ADME properties. Journal of Chemical Information and Modeling, 47. pp. 1847-1857. ISSN 1549-9596

Csányi, G and Pickard, CJ and Simons, BD and Needs, RJ (2007) Graphite intercalation compounds under pressure: A first-principles density functional theory study. Physical Review B: Condensed Matter and Materials Physics, 75. 085432-. ISSN 1098-0121

Csanyi, G and Pickard, CJ and Simons, BD and Needs, RJ (2007) Graphite intercalation compounds under pressure: A first-principles density functional theory study. Physical Review B: Condensed Matter and Materials Physics, 75. p.085432-p.085432. ISSN 1098-0121

Csanyi, G and Moras, G and Kermode, JR and Payne, MC and Mainwood, A and De Vita, A (2007) Multiscale modeling of defects in semiconductors: A novel molecular-dynamics scheme. TOP APPL PHYS, 104. pp. 193-212. ISSN 0303-4216

Csanyi, G and Pickard, CJ and Simons, BD and Needs, RJ (2006) Graphite intercalation compounds under pressure.

Moras, G and Csanyi, G and Payne, MC and De Vita, A (2006) A novel molecular dynamics approach to large semiconductor systems. Physica B: Condensed Matter, 376-37. pp. 936-939. ISSN 0921-4526

Payne, MC and Csanyi, G and Albaret, T and De Vita, A (2005) A novel quantum/classical hybrid simulation technique. CHEMPHYSCHEM, 6. pp. 1731-1734. ISSN 1439-4235

Hofmann, S and Csanyi, G and Ferrari, AC and Payne, MC and Robertson, J (2005) Surface diffusion: the low activation energy path for nanotube growth. Physical Review Letters, 95. 036101-. ISSN 1079-7114

Csanyi, G and Albaret, T and Moras, G and Payne, MC and De Vita, A (2005) Multiscale hybrid simulation methods for material systems. J PHYS-CONDENS MAT, 17. R691-R703. ISSN 0953-8984

Csanyi, G and Littlewood, PB and Nevidomskyy, AH and Pickard, CJ and Simons, BD (2005) The role of the interlayer state in the electronic structure of superconducting graphite intercalated compounds. NAT PHYS, 1. pp. 42-45. ISSN 1745-2473

Lukic, B and Seo, JW and Couteau, E and Lee, K and Gradecak, S and Berkecz, R and Hernadi, K and Delpeux, S and Cacciaguerra, T and Beguin, F and Fonseca, A and Nagy, JB and Csanyi, G and Kis, A and Kulik, AJ and Forro, L (2005) Elastic modulus of multi-walled carbon nanotubes produced by catalytic chemical vapour deposition. Applied Physics A: Materials Science and Processing, 80. pp. 695-700. ISSN 0947-8396

Rockenbauer, A and Csanyi, G and Fulop, P and Garaj, S and Korecz, L and Lukacs, R and Simon, F and Forro, L and Pekker, S and Janossy, A (2005) Electron delocalization and dimerization in solid C59N doped C60 fullerene. Physical Review Letters, 94. 066603-066607. ISSN 0031-9007

Csanyi, G and Albaret, T and Moras, G and Payne, MC and De Vita, A (2005) Multiscale hybrid simulation methods for material systems. Journal of Physics: Condensed Matter, 17. R691-R703. ISSN 0953-8984

Hofmann, S and Csanyi, G and Ferrari, AC and Payne, MC and Robertson, J (2005) Surface diffusion: the low activation energy path for nanotube growth. Physical Review Letters, 95. 036101-036101. ISSN 1079-7114

Payne, M and Csanyi, G and Albaret, T and De Vita, A (2005) A novel quantum/classical hybrid simulation technique. ChemPhysChem: a European journal of chemical physics and physical chemistry, 6. pp. 1731-1734. ISSN 1439-4235

Csanyi, G and Littlewood, PB and Nevidomskyy, AH and Pickard, CJ and Simons, BD (2005) The role of the interlayer state in the electronic structure of superconducting graphite intercalated compounds. Nature Physics, 1. pp. 42-45. ISSN 1745-2473

Szendroi, B and Csanyi, G (2004) Polynomial epidemics and clustering in contact networks. Proceedings of the Royal Society Biology Letters -Supplement-, 271. S364-S366. ISSN 0962-8452

Csányi, G and Szendroi, B (2004) Structure of a large social network. Phys Rev E Stat Nonlin Soft Matter Phys, 69. 036131-. ISSN 1539-3755

Csanyi, G and Albaret, T and Payne, MC and De Vita, A (2004) "Learn on the fly": A hybrid classical and quantum-mechanical molecular dynamics simulation. PHYS REV LETT, 93. -. ISSN 0031-9007

Csanyi, G and Szendroi, B (2004) Az internet szabadsága. Koktél Magazin.

Csanyi, G and Szendroi, B (2004) Fractal-small-world dichotomy in real-world networks. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 70. 016122-. ISSN 1063-651X

Csányi, G and Szendroi, B (2004) Fractal-small-world dichotomy in real-world networks. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 70. 016122-1-016122-5. ISSN 1539-3755

Csányi, G and Szendroi, B (2004) Fractal-small-world dichotomy in real-world networks. Phys Rev E Stat Nonlin Soft Matter Phys, 70. 016122-. ISSN 1539-3755

Csanyi, G and Albaret, T and Payne, MC and De Vita, A (2004) "Learn on the fly": A hybrid classical and quantum-mechanical molecular dynamics simulation. Physical Review Letters, 93. p. 175503-. ISSN 0031-9007

Kis, A and Csanyi, G and Salvetat, JP and Lee, T and Couteau, E and Kulik, A and Benoit, W and Brugger, J and Forro, L (2004) Reinforcement of single-walled carbon nanotube bundles by intertube bridging. Nature Materials, 3. pp. 153-157. ISSN 1476-1122

Csanyi, G and Szendroi, B (2004) Structure of a large social network. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 69. 036131-. ISSN 1063-651X

Csányi, G and Szendroi, B (2004) Structure of a large social network. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 69. 036131-1-036131-5. ISSN 1063-651X

Csanyi, G and Szendroi, B (2004) Szociális hálózatok. Beszélö.

Nevidomskyy, AH and Csanyi, G and Payne, MC (2003) Chemically active substitutional nitrogen impurity in carbon nanotubes. Physical Review Letters, 91. p. 105502-p. 105502. ISSN 0031-9007

Nevidomskyy, AH and Csanyi, G and Payne, MC (2003) Chemically active substitutional nitrogen impurity in carbon nanotubes. Physical Review Letters, 91. 105502-. ISSN 0031-9007

Csanyi, G and Szendroi, B (2003) Don Juan és a fraktálok. Népszabadság.

Csanyi, G and Szendroi, B (2003) Hálók a hálón. Figyelo. ISSN 0015-086X

Csanyi, G and Arias, TA (2002) Accurate hyperfine couplings for C59N. Chemical Physics Letters, 360. pp. 552-556. ISSN 0009-2614

Csanyi, G and Goedecker, S and Arias, TA (2002) Improved tensor-product expansions for the two-particle density matrix. Physical Review, Series A, 65. 032510-. ISSN 1050-2947

Csányi, G and Goedecker, S and Arias, TA (2002) Improved tensor-product expansions for the two-particle density matrix. Physical Review A - Atomic, Molecular, and Optical Physics, 65. 032510/1-032510/5. ISSN 1050-2947

Csanyi, G and Engeness, TD and Ismail Beigi, S and Arias, TA (2000) New physics of the 30 degree partial dislocation in silicon. Journal of Physics: Condensed Matter, 12. pp. 10029-10038. ISSN 0953-8984

Csanyi, G and Arias, TA (2000) Tensor product expansions for correlation in quantum many-body systems. Physical Review Series B: Condensed Matter and Materials Physics, 61. pp. 7348-7352. ISSN 1098-0121

Csanyi, G and Ismail Beigi, S and Arias, TA (1998) Paramagnetic structure for the soliton of the 30 degree partial dislocation in silicon. Physical Review Letters, 80. pp. 3984-3987. ISSN 0031-9007

Csanyi, G and Kertesz, J (1996) Scaling behaviour in discrete traffic models (vol 28, pg L427, 1995). J PHYS A-MATH GEN, 29. p. 471. ISSN 0305-4470

Csanyi, G and Kertesz, J (1995) Scaling behaviour in discrete traffic models. Journal of Physics -London- a Mathematical and General, 28. L427-L432. ISSN 0305-4470

Book Section

Payne, MC and Csanyi, G and De Vita, A (2005) Hybrid atomistic modelling of materials processes. In: Handbook of Materials Modeling. Springer.

Cantoro, M and Hofmann, S and Kleinsorge, B and Csanyi, G and Payne, MC and Ferrari, AC and Robertson, J (2004) Direct growth of carbon nanofibers on plastic substrates. In: Electric Properties of Synthetic Nanostructures: 17th International Winterschool/Euroconference on Electronic Properties of Novel Materials. AIP Conference Proceedings, 723 . American Institute of Physics, pp. 81-86. ISBN 0735402043

Conference or Workshop Item

Moras, G and Ciacchi, LC and Csanyi, G and De Vita, A (2007) Modelling (100) hydrogen-induced platelets in silicon with a multi-scale molecular dynamics approach. In: UNSPECIFIED pp. 16-20..

Moras, G and Csanyi, G and Payne, MC and De Vita, A (2006) A novel molecular dynamics approach to large semiconductor systems. In: UNSPECIFIED pp. 936-939..

Csanyi, G (2005) Towards a la carte accuracy in large scale computer simulations. In: Psi-k Conference, -9-2005 to --, Schwäbisch Gmünd, Germany.

Csanyi, G (2005) Embedding and locality in quantum mechanics. In: CECAM Workshop: Real space methods, 20-6-2005 to 24-6-2005, Lyon, France.

Rockenbauer, A and Csanyi, G and Fulop, F and Garaj, S and Korecz, L and Lukacs, R and Simon, F and Forro, L and Pekker, S and Janossy, A (2005) Electron delocalization and dimerization in solid C59N doped C60 fullerene. In: 19th International Winter School/Euroconference, 12-3-2005 to 19-3-2005, Kirchberg, Austria pp. 41-45..

Csanyi, G (2005) High dimensional interpolation: how to make a naive classical potential. In: Ab initio meets classical simulation, 17-10-2005 to 19-10-2005, Lyon, France.

Cantoro, M and Hofmann, S and Kleinsorge, B and Csanyi, G and Payne, MC and Ferrari, AC and Robertson, J (2004) Direct growth of carbon nanofibers on plastic substrates. In: UNSPECIFIED pp. 81-84..

Csanyi, G (2003) Learn-on-the-fly: an adaptive classical/quantum hybrid molecular dynamics scheme. In: CECAM Workshop: Towards Chemical Complexity, -7-2003 to --, Lyon, France.

Csanyi, G (2003) Learn-on-the-fly: An adaptive classical/quantum hybrid molecular dynamics scheme. In: MRS Fall Meeting, -- to --, Boston, Massachusetts, U.S.A..

Csanyi, G (2002) Nitrogen defect in carbon nanotubes. In: 4th International Conference Nanotechnology in Carbon and Related Materials Nanote C'02, 28-8-2002 to 31-8-2002, Brighton, Sussex, UK.

Csanyi, G (2000) New physics of the 30 degree partial dislocation in Silicon. In: EDS 2000, 24-8-2000 to --, Brighton, Great Britain.

Csanyi, G and Engeness, TD and Ismail-Beigi, S and Arias, TA (2000) New physics of the 30 degrees partial dislocation in silicon revealed through ab initio calculation. In: UNSPECIFIED pp. 10029-10037..

Thesis

Csanyi, G (2001) New ab initio formulation of electron correlation and spin resonance. PhD thesis, UNSPECIFIED.