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- Currently displaying 201 - 220 of 704 publications
Trapping of hydrogen atoms inside small beryllium clusters and their ions
Chemical Physics Letters
(2016)
659
282
(doi: 10.1016/j.cplett.2016.07.054)
Structure and torsional dynamics of the water octamer from THz laser spectroscopy near 215 μm
Science
(2016)
352
1194
(doi: 10.1126/science.aad8625)
Dynamics of a molecular glass former: Energy landscapes for diffusion in ortho-terphenyl.
The Journal of chemical physics
(2016)
145
024505
(doi: 10.1063/1.4954324)
Kinetic Transition Networks for the Thomson Problem and Smale's Seventh Problem
Phys Rev Lett
(2016)
117
028301
The potential energy landscape for crystallisation of a Lennard-Jones fluid
Journal of Statistical Mechanics Theory and Experiment
(2016)
2016
074001
Energy landscapes for a machine-learning prediction of patient discharge
Phys Rev E
(2016)
93
063310
(doi: 10.1103/PhysRevE.93.063310)
Conformational Energy Landscape of the Ritonavir Molecule.
Journal of Physical Chemistry B
(2016)
120
4331
(doi: 10.1021/acs.jpcb.5b12272)
Dynamical properties of two- and three-dimensional colloidal clusters of six particles.
Physical chemistry chemical physics : PCCP
(2016)
18
12725
(doi: 10.1039/c6cp00677a)
Energy landscapes for a machine learning application to series data.
The Journal of Chemical Physics
(2016)
144
124119
(doi: 10.1063/1.4944672)
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
Science (New York, N.Y.)
(2016)
351
1310
(doi: 10.1126/science.aae0012)
Quantum tunneling splittings from path-integral molecular dynamics.
Journal of Chemical Physics
(2016)
144
114108
(doi: 10.1063/1.4943867)
Isotopic and tunneling patterns in water clusters
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)
251
Energy landscapes and persistent minima.
The Journal of Chemical Physics
(2016)
144
054109
(doi: 10.1063/1.4941052)
Turning intractable counting into sampling: Computing the configurational entropy of three-dimensional jammed packings.
Physical review. E
(2016)
93
012906
(doi: 10.1103/physreve.93.012906)
Energetically favoured defects in dense packings of particles on spherical surfaces.
Soft matter
(2016)
12
5708
(doi: 10.1039/c6sm00489j)
Rovibrational transitions of the methane-water dimer from intermolecular quantum dynamical computations.
Physical chemistry chemical physics : PCCP
(2016)
18
22816
(doi: 10.1039/c6cp03062a)
Coarse-graining the structure of polycyclic aromatic hydrocarbons clusters
Phys Chem Chem Phys
(2016)
18
13736
(doi: 10.1039/c6cp00592f)
Self-assembly of colloidal magnetic particles: energy landscapes and structural transitions.
Phys Chem Chem Phys
(2016)
18
26579
(doi: 10.1039/c6cp03085h)
Response to "Comment on 'Exploring the potential energy landscape of the Thomson problem via Newton homotopies"' [J. Chem. Phys. 143, 247101 (2015)]
The Journal of Chemical Physics
(2015)
143
247102
(doi: 10.1063/1.4939011)
Rate constants, timescales, and free energy barriers
Journal of Non-Equilibrium Thermodynamics
(2015)
41
13
(doi: 10.1515/jnet-2015-0038)
