Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 241 - 260 of 682 publications
Design principles for Bernal spirals and helices with tunable pitch
Nanoscale
(2014)
6
9448
(doi: 10.1039/c4nr00324a)
Observation time scale, free-energy landscapes, and molecular symmetry.
Proceedings of the National Academy of Sciences
(2013)
111
617
(doi: 10.1073/pnas.1319599111)
Communication: A new paradigm for structure prediction in multicomponent systems
The Journal of chemical physics
(2013)
139
221101
(doi: 10.1063/1.4843956)
Potential energy landscapes for the 2D XY model: Minima, transition states, and pathways
Journal of Chemical Physics
(2013)
139
(doi: 10.1063/1.4830400)
Communication: Kinetics of chemical ordering in Ag-Au and Ag-Ni nanoalloys.
The Journal of chemical physics
(2013)
139
111102
(doi: 10.1063/1.4821582)
Surveying a complex potential energy landscape: Overcoming broken ergodicity using basin-sampling
Chemical Physics Letters
(2013)
584
1
(doi: 10.1016/j.cplett.2013.07.066)
Exploring Energy Landscapes: Metrics, Pathways, and Normal-Mode Analysis for Rigid-Body Molecules
Journal of chemical theory and computation
(2013)
9
4026
(doi: 10.1021/ct400403y)
A left-handed building block self-assembles into right-and left-handed helices
RSC Advances
(2013)
3
12905
(doi: 10.1039/c3ra41813h)
Energy landscapes and global thermodynamics for alanine peptides.
Journal of Chemical Physics
(2013)
139
121909
(doi: 10.1063/1.4813627)
Energy landscapes, structural topologies and rearrangement mechanisms in clusters of dipolar particles
Soft Matter
(2013)
9
5407
(doi: 10.1039/c3sm50711d)
Visualizing basins of attraction for different minimization algorithms
The Journal of Physical Chemistry B
(2013)
117
12717
(doi: 10.1021/jp312457a)
Local frustration determines molecular and macroscopic helix structures.
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical
(2013)
117
7918
(doi: 10.1021/jp4040503)
Communication: Certifying the potential energy landscape.
The Journal of Chemical Physics
(2013)
138
171101
(doi: 10.1063/1.4803162)
Defect motifs for constant mean curvature surfaces
Phys Rev Lett
(2013)
110
165502
Symmetrisation schemes for global optimisation of atomic clusters
Phys Chem Chem Phys
(2013)
15
3965
(doi: 10.1039/c3cp44332a)
Investigation of terahertz vibration-rotation tunneling spectra for the water octamer
J Phys Chem A
(2013)
117
6960
(doi: 10.1021/jp311306a)
Hydrogen in Light-Metal Cage Assemblies: Towards a Nanofoam Storage
Progress in Theoretical Chemistry and Physics
(2013)
27
211
(doi: 10.1007/978-3-319-01529-3_12)
Energy landscapes and tunneling splittings for water clusters
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2013)
246
Nuclear quantum effects on the stability of cationic neon clusters
Chemical Physics Letters
(2012)
551
38
(doi: 10.1016/j.cplett.2012.09.013)
