Christoph Dellago - Publications

Affiliations: 
1996-1999 University of Vienna, Wien, Wien, Austria 

123 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Frechette LB, Dellago C, Geissler PL. Elastic forces drive nonequilibrium pattern formation in a model of nanocrystal ion exchange. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34934003 DOI: 10.1073/pnas.2114551118  0.521
2021 Moritz C, Geissler PL, Dellago C. The microscopic mechanism of bulk melting of ice. The Journal of Chemical Physics. 155: 124501. PMID 34598556 DOI: 10.1063/5.0064380  0.511
2021 Mińkowski M, Hummer K, Dellago C. Cation interstitial diffusion in lead telluride and cadmium telluride studied by means of neural network potential based molecular dynamics simulations. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 33: 015901. PMID 33043897 DOI: 10.1088/1361-648X/Abb740  0.338
2020 Moritz C, Sega M, Innerbichler M, Geissler PL, Dellago C. Weak scaling of the contact distance between two fluctuating interfaces with system size. Physical Review. E. 102: 062801. PMID 33465946 DOI: 10.1103/PhysRevE.102.062801  0.514
2020 Chaimovich A, Leitold C, Dellago C. The generic unfolding of a biomimetic polymer during force spectroscopy. Soft Matter. PMID 32267254 DOI: 10.1039/C9Sm02545F  0.308
2020 Innerbichler M, Dellago C. Enhancing transport by shaping barriers. Proceedings of the National Academy of Sciences of the United States of America. PMID 31937661 DOI: 10.1073/Pnas.1921425117  0.312
2020 Frechette LB, Dellago C, Geissler PL. Origin of mean-field behavior in an elastic Ising model Physical Review B. 102. DOI: 10.1103/Physrevb.102.024102  0.559
2019 Frechette LB, Dellago C, Geissler PL. Consequences of Lattice Mismatch for Phase Equilibrium in Heterostructured Solids. Physical Review Letters. 123: 135701. PMID 31697506 DOI: 10.1103/Physrevlett.123.135701  0.57
2019 Karner C, Dellago C, Bianchi E. Design of Patchy Rhombi: From Close-Packed Tilings to Open Lattices. Nano Letters. PMID 31580675 DOI: 10.1021/Acs.Nanolett.9B02829  0.301
2019 Michl J, Sega M, Dellago C. Phase stability of the ice XVII-based CO chiral hydrate from molecular dynamics simulations. The Journal of Chemical Physics. 151: 104502. PMID 31521081 DOI: 10.1063/1.5116540  0.323
2019 Singraber A, Morawietz T, Behler J, Dellago C. Parallel Multistream Training of High-Dimensional Neural Network Potentials. Journal of Chemical Theory and Computation. PMID 30995035 DOI: 10.1021/Acs.Jctc.8B01092  0.767
2019 Qin L, Dellago C, Kozeschnik E. An efficient method to reconstruct free energy profiles for diffusive processes in transition interface sampling and forward flux sampling simulations. The Journal of Chemical Physics. 150: 094114. PMID 30849894 DOI: 10.1063/1.5080933  0.371
2019 Singraber A, Behler J, Dellago C. Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials. Journal of Chemical Theory and Computation. PMID 30677296 DOI: 10.1021/Acs.Jctc.8B00770  0.609
2019 Cheng B, Engel EA, Behler J, Dellago C, Ceriotti M. Ab initio thermodynamics of liquid and solid water. Proceedings of the National Academy of Sciences of the United States of America. PMID 30610171 DOI: 10.1073/Pnas.1815117116  0.617
2018 Cheng B, Dellago C, Ceriotti M. Theoretical prediction of the homogeneous ice nucleation rate: disentangling thermodynamics and kinetics. Physical Chemistry Chemical Physics : Pccp. PMID 30412211 DOI: 10.1039/C8Cp04561E  0.319
2018 Innerbichler M, Menzl G, Dellago C. State-dependent diffusion coefficients and free energies for nucleation processes from Bayesian trajectory analysis. Molecular Physics. 116: 2987-2997. PMID 30338318 DOI: 10.1080/00268976.2018.1471534  0.358
2018 Burian M, Karner C, Yarema M, Heiss W, Amenitsch H, Dellago C, Lechner RT. A Shape-Induced Orientation Phase within 3D Nanocrystal Solids. Advanced Materials (Deerfield Beach, Fla.). e1802078. PMID 29944182 DOI: 10.1002/Adma.201802078  0.309
2018 Wirnsberger P, Dellago C, Frenkel D, Reinhardt A. Theoretical Prediction of Thermal Polarization. Physical Review Letters. 120: 226001. PMID 29906184 DOI: 10.1103/Physrevlett.120.226001  0.301
2018 Singraber A, Morawietz T, Behler J, Dellago C. Density anomaly of water at negative pressures from first principles. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29762140 DOI: 10.1088/1361-648X/Aac4F4  0.764
2017 Rondin L, Gieseler J, Ricci F, Quidant R, Dellago C, Novotny L. Direct measurement of Kramers turnover with a levitated nanoparticle. Nature Nanotechnology. 12: 1130-1133. PMID 29209016 DOI: 10.1038/Nnano.2017.198  0.32
2017 Moritz C, Tröster A, Dellago C. Interplay of fast and slow dynamics in rare transition pathways: The disk-to-slab transition in the 2d Ising model. The Journal of Chemical Physics. 147: 152714. PMID 29055347 DOI: 10.1063/1.4997479  0.406
2017 Sega M, Dellago C. Long-Range Dispersion Effects on the Water/vapor Interface Simulated Using the Most Common Models. The Journal of Physical Chemistry. B. PMID 28218854 DOI: 10.1021/Acs.Jpcb.6B12437  0.311
2016 Menzl G, Dellago C. Effect of entropy on the nucleation of cavitation bubbles in water under tension. The Journal of Chemical Physics. 145: 211918. PMID 28799367 DOI: 10.1063/1.4964327  0.367
2016 Angulo G, Astumian RD, Beniwal V, Bolhuis PG, Dellago C, Ellis J, Ensing B, Glowacki DR, Hammes-Schiffer S, Kästner J, Lelièvre T, Makri N, Manolopoulos D, Menzl G, Miller TF, et al. New methods: general discussion. Faraday Discussions. PMID 27929586 DOI: 10.1039/C6Fd90075E  0.616
2016 Menzl G, Gonzalez MA, Geiger P, Caupin F, Abascal JL, Valeriani C, Dellago C. Molecular mechanism for cavitation in water under tension. Proceedings of the National Academy of Sciences of the United States of America. PMID 27803329 DOI: 10.1073/Pnas.1608421113  0.378
2016 Menzl G, Singraber A, Dellago C. S-shooting: a Bennett-Chandler-like method for the computation of rate constants from committor trajectories. Faraday Discussions. PMID 27711811 DOI: 10.1039/C6Fd00124F  0.419
2016 Leitold C, Dellago C. Nucleation and structural growth of cluster crystals. The Journal of Chemical Physics. 145: 074504. PMID 27544116 DOI: 10.1063/1.4960958  0.315
2016 Morawietz T, Singraber A, Dellago C, Behler J. How van der Waals interactions determine the unique properties of water. Proceedings of the National Academy of Sciences of the United States of America. PMID 27402761 DOI: 10.1073/Pnas.1602375113  0.773
2016 Qin L, Redermeier A, Kozeschnik E, Karner C, Dellago C. A Statistical Methodology to Reconstruct Nucleation Pathways in the Fe-Cu System Materials Science Forum. 879: 1529-1534. DOI: 10.4028/Www.Scientific.Net/Msf.879.1529  0.323
2016 Borrero EE, Dellago C. Avoiding traps in trajectory space: metadynamics enhanced transition path sampling European Physical Journal: Special Topics. 1-12. DOI: 10.1140/Epjst/E2016-60106-Y  0.371
2016 Jungblut S, Dellago C. Pathways to self-organization: Crystallization via nucleation and growth European Physical Journal E. 39. DOI: 10.1140/Epje/I2016-16077-6  0.323
2016 Wirnsberger P, Fijan D, Šarić A, Neumann M, Dellago C, Frenkel D. Non-equilibrium simulations of thermally induced electric fields in water Journal of Chemical Physics. 144. DOI: 10.1063/1.4953036  0.318
2015 Leitold C, Lechner W, Dellago C. A string reaction coordinate for the folding of a polymer chain. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 194126. PMID 25923377 DOI: 10.1088/0953-8984/27/19/194126  0.364
2015 Lechner W, Polster D, Maret G, Dellago C, Keim P. Entropy and kinetics of point defects in two-dimensional dipolar crystals. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 91: 032304. PMID 25871107 DOI: 10.1103/Physreve.91.032304  0.349
2015 Jungblut S, Dellago C. Caveats of mean first-passage time methods applied to the crystallization transition: Effects of non-Markovianity. The Journal of Chemical Physics. 142: 064103. PMID 25681883 DOI: 10.1063/1.4907364  0.36
2015 Pedersen UR, Hummel F, Dellago C. Computing the crystal growth rate by the interface pinning method. The Journal of Chemical Physics. 142: 044104. PMID 25637966 DOI: 10.1063/1.4905955  0.311
2015 Bolhuis PG, Dellago C. Practical and conceptual path sampling issues European Physical Journal: Special Topics. DOI: 10.1140/Epjst/E2015-02419-6  0.633
2014 González MA, Menzl G, Aragones JL, Geiger P, Caupin F, Abascal JL, Dellago C, Valeriani C. Detecting vapour bubbles in simulations of metastable water. The Journal of Chemical Physics. 141: 18C511. PMID 25399176 DOI: 10.1063/1.4896216  0.365
2014 Leitold C, Dellago C. Folding mechanism of a polymer chain with short-range attractions. The Journal of Chemical Physics. 141: 134901. PMID 25296831 DOI: 10.1063/1.4896560  0.357
2014 Hasnain J, Jungblut S, Tröster A, Dellago C. Frictional dynamics of stiff monolayers: from nucleation dynamics to thermal sliding. Nanoscale. 6: 10161-8. PMID 25046037 DOI: 10.1039/C4Nr01790K  0.337
2014 Gieseler J, Quidant R, Dellago C, Novotny L. Dynamic relaxation of a levitated nanoparticle from a non-equilibrium steady state. Nature Nanotechnology. 9: 358-64. PMID 24681775 DOI: 10.1038/Nnano.2014.40  0.312
2014 Dellago C, Hummer G. Computing equilibrium free energies using non-equilibrium molecular dynamics Entropy. 16: 41-61. DOI: 10.3390/E16010041  0.353
2013 Geiger P, Dellago C. Neural networks for local structure detection in polymorphic systems. The Journal of Chemical Physics. 139: 164105. PMID 24182002 DOI: 10.1063/1.4825111  0.308
2013 Jungblut S, Dellago C. Crystallization on prestructured seeds. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 87: 012305. PMID 23410329 DOI: 10.1103/Physreve.87.012305  0.332
2013 Vogler C, Bruckner F, Bergmair B, Huber T, Suess D, Dellago C. Simulating rare switching events of magnetic nanostructures with forward flux sampling Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.134409  0.329
2013 Pedersen UR, Hummel F, Kresse G, Kahl G, Dellago C. Computing Gibbs free energy differences by interface pinning Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.094101  0.341
2013 Hasnain J, Jungblut S, Dellago C. Dynamic phases of colloidal monolayers sliding on commensurate substrates Soft Matter. 9: 5867-5873. DOI: 10.1039/C3Sm50458A  0.325
2012 Dellago C, Kahl G, Likos CN. The Ninth Liquid Matter Conference. Journal of Physics: Condensed Matter. 27: 190302-190302. PMID 25923198 DOI: 10.1088/0953-8984/27/19/190302  0.36
2012 Ballard AJ, Dellago C. Toward the mechanism of ionic dissociation in water. The Journal of Physical Chemistry. B. 116: 13490-7. PMID 23078105 DOI: 10.1021/Jp309300B  0.373
2012 Menzl G, Köfinger J, Dellago C. Phase transition and interpore correlations of water in nanopore membranes. Physical Review Letters. 109: 020602. PMID 23030146 DOI: 10.1103/Physrevlett.109.020602  0.303
2012 Chandler D, Dellago C, Geissler P. Ion dynamics: Wired-up water. Nature Chemistry. 4: 245-7. PMID 22437703 DOI: 10.1038/Nchem.1300  0.653
2011 Lechner W, Dellago C, Bolhuis PG. Reaction coordinates for the crystal nucleation of colloidal suspensions extracted from the reweighted path ensemble. The Journal of Chemical Physics. 135: 154110. PMID 22029300 DOI: 10.1063/1.3651367  0.588
2011 Köfinger J, Hummer G, Dellago C. Single-file water in nanopores. Physical Chemistry Chemical Physics : Pccp. 13: 15403-17. PMID 21779552 DOI: 10.1039/C1Cp21086F  0.319
2011 Borrero EE, Weinwurm M, Dellago C. Optimizing transition interface sampling simulations. The Journal of Chemical Physics. 134: 244118. PMID 21721623 DOI: 10.1063/1.3601919  0.355
2011 Lechner W, Dellago C, Bolhuis PG. Role of the prestructured surface cloud in crystal nucleation. Physical Review Letters. 106: 085701. PMID 21405585 DOI: 10.1103/Physrevlett.106.085701  0.581
2011 Jungblut S, Dellago C. Crystallization of a binary Lennard-Jones mixture. The Journal of Chemical Physics. 134: 104501. PMID 21405169 DOI: 10.1063/1.3556664  0.375
2011 Weinwurm M, Dellago C. Vibrational spectroscopy of water in narrow nanopores. The Journal of Physical Chemistry. B. 115: 5268-77. PMID 21280603 DOI: 10.1021/Jp109037Q  0.34
2011 Jungblut S, Dellago C. Heterogeneous crystallization on tiny clusters Epl. 96. DOI: 10.1209/0295-5075/96/56006  0.331
2011 Lechner W, Dellago C, Bolhuis PG. Role of the prestructured surface cloud in crystal nucleation Physical Review Letters. 106. DOI: 10.1103/PhysRevLett.106.085701  0.465
2010 Köfinger J, Dellago C. Microscopic properties of nanopore water from its time-dependent dielectric response. Physical Review. B, Condensed Matter and Materials Physics. 82. PMID 22022203 DOI: 10.1103/Physrevb.82.205416  0.348
2010 Köfinger J, Dellago C. Single-file water as a one-dimensional Ising model. New Journal of Physics. 12. PMID 22003314 DOI: 10.1088/1367-2630/12/9/093044  0.344
2010 Borrero EE, Dellago C. Overcoming barriers in trajectory space: mechanism and kinetics of rare events via Wang-Landau enhanced transition path sampling. The Journal of Chemical Physics. 133: 134112. PMID 20942528 DOI: 10.1063/1.3496376  0.419
2010 Schöll-Paschinger E, Dellago C. Demixing of a binary symmetric mixture studied with transition path sampling. The Journal of Chemical Physics. 133: 104505. PMID 20849176 DOI: 10.1063/1.3486173  0.395
2010 Geiger P, Dellago C. Identifying rare chaotic and regular trajectories in dynamical systems with Lyapunov weighted path sampling Chemical Physics. 375: 309-315. DOI: 10.1016/J.Chemphys.2010.04.024  0.372
2010 Bolhuis PG, Dellago C. Trajectory-based rare event simulations Reviews in Computational Chemistry. 27: 111-210. DOI: 10.1002/9780470890905.ch3  0.486
2009 Bucko T, Benco L, Dubay O, Dellago C, Hafner J. Mechanism of alkane dehydrogenation catalyzed by acidic zeolites: Ab initio transition path sampling. The Journal of Chemical Physics. 131: 214508. PMID 19968352 DOI: 10.1063/1.3265715  0.382
2009 Grünwald M, Dellago C. Transition state analysis of solid-solid transformations in nanocrystals. The Journal of Chemical Physics. 131: 164116. PMID 19894936 DOI: 10.1063/1.3253700  0.377
2009 Köfinger J, Dellago C. Orientational dynamics and dielectric response of nanopore water. Physical Review Letters. 103: 080601. PMID 19792703 DOI: 10.1103/Physrevlett.103.080601  0.361
2009 Grünwald M, Dellago C. Nucleation and growth in structural transformations of nanocrystals. Nano Letters. 9: 2099-102. PMID 19435382 DOI: 10.1021/Nl900609D  0.352
2009 Köfinger J, Hummer G, Dellago C. A one-dimensional dipole lattice model for water in narrow nanopores. The Journal of Chemical Physics. 130: 154110. PMID 19388739 DOI: 10.1063/1.3106223  0.352
2009 Reischl B, Kofinger J, Dellago C. The statistics of electric field fluctuations in liquid water Molecular Physics. 107: 495-502. DOI: 10.1080/00268970902865493  0.315
2009 Dellago C, Bolhuis PG. Transition path sampling and other advanced simulation techniques for rare events Advances in Polymer Science. 221: 167-233. DOI: 10.1007/978-3-540-87706-6_3  0.609
2008 Lechner W, Dellago C. Accurate determination of crystal structures based on averaged local bond order parameters. The Journal of Chemical Physics. 129: 114707. PMID 19044980 DOI: 10.1063/1.2977970  0.3
2008 Grünwald M, Dellago C, Geissler PL. Precision shooting: Sampling long transition pathways. The Journal of Chemical Physics. 129: 194101. PMID 19026039 DOI: 10.1063/1.2978000  0.64
2008 Köfinger J, Hummer G, Dellago C. Macroscopically ordered water in nanopores. Proceedings of the National Academy of Sciences of the United States of America. 105: 13218-22. PMID 18765798 DOI: 10.1073/Pnas.0801448105  0.358
2008 Köfinger J, Dellago C. Biasing the center of charge in molecular dynamics simulations with empirical valence bond models: free energetics of an excess proton in a water droplet. The Journal of Physical Chemistry. B. 112: 2349-56. PMID 18247589 DOI: 10.1021/Jp0736185  0.378
2008 Lechner W, Schöll-Paschinger E, Dellago C. Displacement fields of point defects in two-dimensional colloidal crystals Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/40/404202  0.303
2008 Grünwald M, Dellago C, Geissler PL. Precision shooting: Sampling long transition pathways Journal of Chemical Physics. 129. DOI: 10.1063/1.2978000  0.546
2008 Oberhofer H, Dellago C. Optimum bias for fast-switching free energy calculations Computer Physics Communications. 179: 41-45. DOI: 10.1016/J.Cpc.2008.01.017  0.311
2007 Grünwald M, Dellago C, Geissler PL. An efficient transition path sampling algorithm for nanoparticles under pressure. The Journal of Chemical Physics. 127: 154718. PMID 17949202 DOI: 10.1063/1.2790431  0.595
2007 Oberhofer H, Dellago C, Boresch S. Single molecule pulling with large time steps. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 75: 061106. PMID 17677219 DOI: 10.1103/Physreve.75.061106  0.359
2007 Oberhofer H, Dellago C. Large time-step, fast-switching free energy calculations with non-symplectic integrators Israel Journal of Chemistry. 47: 215-223. DOI: 10.1560/Ijc.47.2.215  0.321
2007 Lechner W, Dellago C. On the efficiency of path sampling methods for the calculation of free energies from non-equilibrium simulations Journal of Statistical Mechanics: Theory and Experiment. DOI: 10.1088/1742-5468/2007/04/P04001  0.333
2007 Troster A, Dellago C. Coarse graining the φ4 model: Landau-Ginzburg potentials from computer simulations Ferroelectrics. 354: 225-237. DOI: 10.1080/00150190701454982  0.316
2007 Grünwald M, Dellago C, Geissler PL. An efficient transition path sampling algorithm for nanoparticles under pressure Journal of Chemical Physics. 127. DOI: 10.1063/1.2790431  0.53
2007 Dellago C. Transition path sampling and the calculation of free energies Springer Series in Chemical Physics. 86: 249-276. DOI: 10.1007/978-3-540-38448-9_7  0.309
2006 Dellago C, Hummer G. Kinetics and mechanism of proton transport across membrane nanopores. Physical Review Letters. 97: 245901. PMID 17280300 DOI: 10.1103/Physrevlett.97.245901  0.301
2006 Grünwald M, Rabani E, Dellago C. Mechanisms of the wurtzite to rocksalt transformation in CdSe nanocrystals. Physical Review Letters. 96: 255701. PMID 16907322 DOI: 10.1103/Physrevlett.96.255701  0.347
2006 Lechner W, Oberhofer H, Dellago C, Geissler PL. Equilibrium free energies from fast-switching trajectories with large time steps. The Journal of Chemical Physics. 124: 044113. PMID 16460155 DOI: 10.1063/1.2162874  0.607
2006 Dellago C, Bolhuis PG, Geissler PL. Transition path sampling methods Lecture Notes in Physics. 703: 349-391. DOI: 10.1007/3-540-35273-2_10  0.701
2006 Dellago C, Bolhuis PG. Transition path sampling simulations of biological systems Topics in Current Chemistry. 268: 291-317. DOI: 10.1007/128_085  0.41
2005 Oberhofer H, Dellago C, Geissler PL. Biased sampling of nonequilibrium trajectories: Can fast switching simulations outperform conventional free energy calculation methods? Journal of Physical Chemistry B. 109: 6902-6915. PMID 16851777 DOI: 10.1021/Jp044556A  0.62
2005 Wang Y, Teitel S, Dellago C. Melting of icosahedral gold nanoclusters from molecular dynamics simulations. The Journal of Chemical Physics. 122: 214722. PMID 15974777 DOI: 10.1063/1.1917756  0.301
2005 Tröster A, Dellago C, Schranz W. Free energies of the 4 model from Wang-Landau simulations Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.094103  0.361
2005 Dellago C, Naor MM. Dipole moment of water molecules in narrow pores Computer Physics Communications. 169: 36-39. DOI: 10.1016/J.Cpc.2005.03.010  0.33
2005 Dellago C, Bolhuis PG, Geissler PL. Transition Path Sampling Advances in Physics. 123: 1-78. DOI: 10.1007/978-1-4020-3286-8_79  0.609
2004 Dellago C, Bolhuis PG. Activation energies from transition path sampling simulations Molecular Simulation. 30: 795-799. DOI: 10.1080/08927020412331294869  0.595
2004 Zhuang W, Dellago C. Dissociation of hydrogen chloride and proton transfer in liquid glycerol: An ab initio molecular dynamics study Journal of Physical Chemistry B. 108: 19647-19656. DOI: 10.1021/Jp047676R  0.318
2004 Geissler PL, Dellago C. Equilibrium time correlation functions from irreversible transformations in trajectory space Journal of Physical Chemistry B. 108: 6667-6672. DOI: 10.1021/Jp037211L  0.595
2003 Dellago C, Naor MM, Hummer G. Proton transport through water-filled carbon nanotubes. Physical Review Letters. 90: 105902. PMID 12689010 DOI: 10.1103/Physrevlett.90.105902  0.318
2003 Wang Y, Dellago C. Structural and morphological transitions in gold nanorods: A computer simulation study Journal of Physical Chemistry B. 107: 9214-9219. DOI: 10.1021/Jp034445W  0.344
2003 Naor MM, Van Nostrand K, Dellago C. Car-Parrinello molecular dynamics simulation of the calcium ion in liquid water Chemical Physics Letters. 369: 159-164. DOI: 10.1016/S0009-2614(02)01998-X  0.32
2002 Dellago C, Geissler PL, Chandler D, Hutter J, Parrinello M. Comment on "Dissociation of water under pressure". Physical Review Letters. 89: 199601; author reply. PMID 12443160 DOI: 10.1103/Physrevlett.89.199601  0.624
2002 Bolhuis PG, Chandler D, Dellago C, Geissler PL. Transition path sampling: throwing ropes over rough mountain passes, in the dark. Annual Review of Physical Chemistry. 53: 291-318. PMID 11972010 DOI: 10.1146/Annurev.Physchem.53.082301.113146  0.753
2002 Dellago C, Geissler PL, Chandler D, Hutter J, Parrinello M, Schwegler ER, Galli G, Gygi F, Hood RQ. Comment on "Dissociation of water under pressure" (multiple letters) Physical Review Letters. 89: 199601/1-199602/1.  0.594
2001 Geissler PL, Dellago C, Chandler D, Hutter J, Parrinello M. Autoionization in liquid water. Science (New York, N.Y.). 291: 2121-4. PMID 11251111 DOI: 10.1126/Science.1056991  0.653
2001 Laria D, Rodriguez J, Dellago C, Chandler D. Dynamical aspects of isomerization and melting transitions in [H2O]8 Journal of Physical Chemistry A. 105: 2646-2651.  0.302
2000 Dellago C, Hoover WG. Finite-precision stationary states at and away from equilibrium Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 62: 6275-81. PMID 11101960 DOI: 10.1103/Physreve.62.6275  0.323
2000 Bolhuis PG, Dellago C, Chandler D. Reaction coordinates of biomolecular isomerization. Proceedings of the National Academy of Sciences of the United States of America. 97: 5877-82. PMID 10801977 DOI: 10.1073/Pnas.100127697  0.648
2000 Bolhuis PG, Dellago C, Geissler PL, Chandler D. Transition path sampling: Throwing ropes over mountains in the dark Journal of Physics Condensed Matter. 12: A139-A145. DOI: 10.1088/0953-8984/12/8A/316  0.748
2000 Vlugt TJH, Dellago C, Smit B. Diffusion of isobutane in silicalite studied by transition path sampling Journal of Chemical Physics. 113: 8791-8799. DOI: 10.1063/1.1318771  0.512
2000 Geissler PL, Van Voorhis T, Dellago C. Potential energy landscape for proton transfer in (H2O)3H+ : Comparison of density functional theory and wavefunction-based methods Chemical Physics Letters. 324: 149-155. DOI: 10.1016/S0009-2614(00)00479-6  0.597
2000 Geissler PL, Dellago C, Chandler D, Hutter J, Parrinello M. Ab initio analysis of proton transfer dynamics in (H2O)3H Chemical Physics Letters. 321: 225-230. DOI: 10.1016/S0009-2614(00)00381-X  0.668
2000 Bolhuis PG, Dellago C, Geissler PL, Chandler D. Transition path sampling: Throwing ropes over mountains in the dark Journal of Physics Condensed Matter. 12: A139-A145.  0.678
2000 Geissler PL, Dellago C, Chandler D, Hutter J, Parrinello M. Ab initio analysis of proton transfer dynamics in (H2O)3H+ Chemical Physics Letters. 321: 225-230.  0.506
1999 Dellago C, Bolhuis PG, Chandler D. On the calculation of reaction rate constants in the transition path ensemble Journal of Chemical Physics. 110: 6617-6625. DOI: 10.1063/1.478569  0.556
1999 Geissler PL, Dellago C, Chandler D. Chemical dynamics of the protonated water trimer analyzed by transition path sampling Physical Chemistry Chemical Physics. 1: 1317-1322. DOI: 10.1039/A808871C  0.7
1999 Geissler PL, Dellago C, Chandler D. Kinetic pathways of ion pair dissociation in water Journal of Physical Chemistry B. 103: 3706-3710. DOI: 10.1021/Jp984837G  0.684
1999 Dellago C, Bolhuis PG, Chandler D. On the calculation of reaction rate constants in the transition path ensemble Journal of Chemical Physics. 110: 6617-6625.  0.535
1998 Dellago C, Bolhuis PG, Chandler D. Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements Journal of Chemical Physics. 108: 9236-9245. DOI: 10.1063/1.476378  0.688
1998 Dellago C, Bolhuis PG, Csajka FS, Chandler D. Transition path sampling and the calculation of rate constants Journal of Chemical Physics. 108: 1964-1977. DOI: 10.1063/1.475562  0.687
1998 Bolhuis PG, Dellago C, Chandler D. Sampling ensembles of deterministic transition pathways Faraday Discussions. 110: 421-436. DOI: 10.1039/A801266K  0.573
1998 Bolhuis PG, Dellago C, Chandler D. Sampling ensembles of deterministic transition pathways Faraday Discussions. 110: 421-436.  0.546
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