| Extended Lagrangian Born–Oppenheimer molecular dynamics with dissipation AMN Niklasson, P Steneteg, A Odell, N Bock, M Challacombe, ... The Journal of chemical physics 130, 214109, 2009 | 162 | 2009 |
| Unveiling the complex electronic structure of amorphous metal oxides C Århammar, A Pietzsch, N Bock, E Holmström, CM Araujo, J Gråsjö, ... Proceedings of the National Academy of Sciences 108 (16), 6355-6360, 2011 | 141 | 2011 |
| Dimensionality crossover in the induced magnetization of Pd layers M Pärnaste, M Marcellini, E Holmström, N Bock, J Fransson, O Eriksson, ... Journal of physics: Condensed matter 19 (24), 246213, 2007 | 53 | 2007 |
| Structure discovery for metallic glasses using stochastic quenching E Holmström, N Bock, T Peery, E Chisolm, R Lizárraga, ... Physical Review B 82 (2), 024203, 2010 | 49 | 2010 |
| Higher-order symplectic integration in Born–Oppenheimer molecular dynamics A Odell, A Delin, B Johansson, N Bock, M Challacombe, AMN Niklasson The Journal of chemical physics 131, 244106, 2009 | 47 | 2009 |
| Graph-based linear scaling electronic structure theory A Niklasson, SM Mniszewski, CFA Negre, MJ Cawkwell, PJ Swart, ... The Journal of Chemical Physics 144 (23), 2016 | 45 | 2016 |
| An optimized sparse approximate matrix multiply for matrices with decay N Bock, M Challacombe SIAM Journal on Scientific Computing 35 (1), C72-C98, 2013 | 39 | 2013 |
| Efficient parallel linear scaling construction of the density matrix for Born-Oppenheimer molecular dynamics SM Mniszewski, MJ Cawkwell, ME Wall, J Mohd-Yusof, N Bock, ... J. Chem. Theory Comput., 2015 | 32 | 2015 |
| Ab initio method for locating characteristic potential-energy minima of liquids E Holmström, N Bock, TB Peery, R Lizárraga, G De Lorenzi-Venneri, ... Physical Review E 80 (5), 051111, 2009 | 31 | 2009 |
| Recursive inverse factorization EH Rubensson, N Bock, E Holmström, AMN Niklasson The Journal of chemical physics 128, 104105, 2008 | 31 | 2008 |
| Recursive factorization of the inverse overlap matrix in linear-scaling quantum molecular dynamics simulations CFA Negre, SM Mniszewski, MJ Cawkwell, N Bock, ME Wall, ... Journal of Chemical Theory and Computation 12 (7), 3063-3073, 2016 | 28 | 2016 |
| Adiabatic and nonadiabatic contributions to the free energy from the electron-phonon interaction for Na, K, Al, and Pb N Bock, DC Wallace, D Coffey Physical Review B 73 (7), 075114, 2006 | 28 | 2006 |
| Non--Adiabatic Contributions to the Free Energy from the Electron--Phonon Interaction for Na, K, Al, and Pb N Bock, D Coffey, DC Wallace Arxiv preprint cond-mat/0501025, 2005 | 27 | 2005 |
| Extended Lagrangian free energy molecular dynamics A Niklasson, P Steneteg, N Bock The Journal of chemical physics 135 (16), 2011 | 26 | 2011 |
| The basic matrix library (BML) for quantum chemistry N Bock, CFA Negre, SM Mniszewski, J Mohd-Yusof, B Aradi, ... The Journal of Supercomputing 74 (11), 6201-6219, 2018 | 24 | 2018 |
| Liquid-state properties from first-principles density functional theory calculations: Static properties N Bock, E Holmström, TB Peery, R Lizárraga, ED Chisolm, ... Physical Review B 82 (14), 144101, 2010 | 24 | 2010 |
| Nanoscale heterogeneity, premartensitic nucleation, and a new plutonium structure in metastable δ fcc Pu-Ga alloys SD Conradson, N Bock, JM Castro, DR Conradson, LE Cox, W Dmowski, ... Physical Review B 89 (22), 224102, 2014 | 23 | 2014 |
| Modularity density of network community divisions E Holmström, N Bock, J Brännlund Physica D: Nonlinear Phenomena 238 (14), 1161-1167, 2009 | 22 | 2009 |
| Intrinsic Nanoscience of δ Pu–Ga Alloys: Local Structure and Speciation, Collective Behavior, Nanoscale Heterogeneity, and Aging Mechanisms SD Conradson, N Bock, JM Castro, DR Conradson, LE Cox, W Dmowski, ... The Journal of Physical Chemistry C 118 (16), 8541-8563, 2014 | 15 | 2014 |
| Statistical mechanics model for the transit free energy of monatomic liquids DC Wallace, ED Chisolm, N Bock, G De Lorenzi-Venneri Physical Review E 81 (4), 041201, 2010 | 14 | 2010 |
Erik HolmstromSandvik R&DVerified email at ri.se
