TRANSITION PATH SAMPLING: Throwing Ropes Over Rough Mountain Passes, in the Dark PG Bolhuis, D Chandler, C Dellago, PL Geissler Annual review of physical chemistry 53 (1), 291-318, 2002 | 2263 | 2002 |
Transition path sampling and the calculation of rate constants C Dellago, PG Bolhuis, FS Csajka, D Chandler The Journal of chemical physics 108 (5), 1964-1977, 1998 | 1231 | 1998 |
Accurate determination of crystal structures based on averaged local bond order parameters W Lechner, C Dellago The Journal of chemical physics 129 (11), 2008 | 946 | 2008 |
Autoionization in liquid water PL Geissler, C Dellago, D Chandler, J Hutter, M Parrinello Science 291 (5511), 2121-2124, 2001 | 861 | 2001 |
Transition path sampling C Dellago, PG Bolhuis, PL Geissler Advances in chemical physics 123, 1-78, 2002 | 770 | 2002 |
Proton transport through water-filled carbon nanotubes C Dellago, MM Naor, G Hummer Physical review letters 90 (10), 105902, 2003 | 458 | 2003 |
Reaction coordinates of biomolecular isomerization PG Bolhuis, C Dellago, D Chandler Proceedings of the National Academy of Sciences 97 (11), 5877-5882, 2000 | 455 | 2000 |
Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements C Dellago, PG Bolhuis, D Chandler The Journal of chemical physics 108 (22), 9236-9245, 1998 | 434 | 1998 |
How van der Waals interactions determine the unique properties of water T Morawietz, A Singraber, C Dellago, J Behler Proceedings of the National Academy of Sciences 113 (30), 8368-8373, 2016 | 414 | 2016 |
Kinetic pathways of ion pair dissociation in water PL Geissler, C Dellago, D Chandler The Journal of Physical Chemistry B 103 (18), 3706-3710, 1999 | 381 | 1999 |
On the calculation of reaction rate constants in the transition path ensemble C Dellago, PG Bolhuis, D Chandler The Journal of chemical physics 110 (14), 6617-6625, 1999 | 378 | 1999 |
Sampling ensembles of deterministic transition pathways PG Bolhuis Faraday Discussions 110, 421-436, 1998 | 370 | 1998 |
Direct measurement of photon recoil from a levitated nanoparticle V Jain, J Gieseler, C Moritz, C Dellago, R Quidant, L Novotny Physical review letters 116 (24), 243601, 2016 | 367 | 2016 |
Ab initio thermodynamics of liquid and solid water B Cheng, EA Engel, J Behler, C Dellago, M Ceriotti Proceedings of the National Academy of Sciences 116 (4), 1110-1115, 2019 | 279 | 2019 |
Melting of icosahedral gold nanoclusters from molecular dynamics simulations Y Wang, S Teitel, C Dellago The Journal of chemical physics 122 (21), 2005 | 278 | 2005 |
Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials A Singraber, J Behler, C Dellago Journal of chemical theory and computation 15 (3), 1827-1840, 2019 | 271 | 2019 |
Dynamic relaxation of a levitated nanoparticle from a non-equilibrium steady state J Gieseler, R Quidant, C Dellago, L Novotny Nature nanotechnology 9 (5), 358-364, 2014 | 230 | 2014 |
Lyapunov instability in a system of hard disks in equilibrium and nonequilibrium steady states C Dellago, HA Posch, WG Hoover Physical Review E 53 (2), 1485, 1996 | 213 | 1996 |
Biased sampling of nonequilibrium trajectories: Can fast switching simulations outperform conventional free energy calculation methods? H Oberhofer, C Dellago, PL Geissler The Journal of Physical Chemistry B 109 (14), 6902-6915, 2005 | 200 | 2005 |
Transition path sampling and other advanced simulation techniques for rare events C Dellago, PG Bolhuis Advanced computer simulation approaches for soft matter sciences III, 167-233, 2009 | 190 | 2009 |