| Year |
Citation |
Score |
| 2024 |
Falkner S, Coretti A, Dellago C. Enhanced Sampling of Configuration and Path Space in a Generalized Ensemble by Shooting Point Exchange. Physical Review Letters. 132: 128001. PMID 38579233 DOI: 10.1103/PhysRevLett.132.128001 |
0.304 |
|
| 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 |
0.517 |
|
| 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 |
0.507 |
|
| 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 |
0.337 |
|
| 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 |
0.51 |
|
| 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 |
0.556 |
|
| 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 |
0.567 |
|
| 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 |
0.322 |
|
| 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 |
0.768 |
|
| 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 |
0.372 |
|
| 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 |
0.602 |
|
| 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 |
0.611 |
|
| 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 |
0.318 |
|
| 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 |
0.3 |
|
| 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 |
0.766 |
|
| 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 |
0.613 |
|
| 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 |
0.377 |
|
| 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 |
0.774 |
|
| 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 |
0.372 |
|
| 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 |
0.324 |
|
| 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 |
0.365 |
|
| 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 |
0.35 |
|
| 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 |
0.634 |
|
| 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 |
0.307 |
|
| 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 |
0.333 |
|
| 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 |
0.359 |
|
| 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 |
0.65 |
|
| 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 |
0.589 |
|
| 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 |
0.318 |
|
| 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 |
0.376 |
|
| 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 |
0.339 |
|
| 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 |
0.343 |
|
| 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 |
0.383 |
|
| 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 |
0.378 |
|
| 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 |
0.638 |
|
| 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 |
0.377 |
|
| 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 |
0.543 |
|
| 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 |
0.592 |
|
| 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 |
0.526 |
|
| 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 |
0.3 |
|
| 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 |
0.604 |
|
| 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 |
0.7 |
|
| 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 |
0.617 |
|
| 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 |
0.329 |
|
| 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 |
0.606 |
|
| 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 |
0.593 |
|
| 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 |
0.621 |
|
| 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 |
0.752 |
|
| 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. |
0.59 |
|
| 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 |
0.651 |
|
| 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 |
0.747 |
|
| 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 |
0.511 |
|
| 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 |
0.594 |
|
| 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 |
0.666 |
|
| 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. |
0.676 |
|
| 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. |
0.502 |
|
| 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 |
0.698 |
|
| 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 |
0.682 |
|
| 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 |
0.572 |
|
| 1998 |
Bolhuis PG, Dellago C, Chandler D. Sampling ensembles of deterministic transition pathways Faraday Discussions. 110: 421-436. |
0.546 |
|
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