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- Currently displaying 241 - 260 of 694 publications
Investigating the Solid-Liquid Phase Transition of Water Nanofilms Using the Generalized Replica Exchange Method
The Journal of Chemical Physics
(2014)
141
18C525
(doi: 10.1063/1.4896513.)
Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method
The Journal of chemical physics
(2014)
141
18C525
(doi: 10.1063/1.4896513)
Communication: Newton homotopies for sampling stationary points of potential energy landscapes.
Journal of Chemical Physics
(2014)
141
121104
(doi: 10.1063/1.4896657)
Superposition enhanced nested sampling
Physical Review X
(2014)
4
031034
(doi: 10.1103/physrevx.4.031034)
Communication: optimal parameters for basin-hopping global optimization based on Tsallis statistics.
The Journal of Chemical Physics
(2014)
141
071101
(doi: 10.1063/1.4893344)
Communication: Analysing kinetic transition networks for rare events
Journal of Chemical Physics
(2014)
141
041104
(doi: 10.1063/1.4891356)
Structure and Properties of DNA in Apolar Solvents
J Phys Chem B
(2014)
118
8540
(doi: 10.1021/jp503816r)
Certification and the potential energy landscape.
J Chem Phys
(2014)
140
224114
(doi: 10.1063/1.4881638)
Potential energy landscape of the two-dimensional XY model: Higher-index stationary points
Journal of Chemical Physics
(2014)
140
224503
(doi: 10.1063/1.4880417)
An inversion-relaxation approach for sampling stationary points of spin model Hamiltonians.
J Chem Phys
(2014)
140
194104
(doi: 10.1063/1.4875697)
Clusters of coarse-grained water molecules.
The journal of physical chemistry. A
(2014)
118
7338
(doi: 10.1021/jp4119666)
Proton Transfer Pathways, Energy Landscape, and Kinetics in Creatine–Water Systems
Journal of Physical Chemistry B
(2014)
118
1969
(doi: 10.1021/jp410172k)
A kinetic approach to the sequence-aggregation relationship in disease-related protein assembly
The Journal of Physical Chemistry B
(2014)
118
1003
(doi: 10.1021/jp412648u)
Design principles for Bernal spirals and helices with tunable pitch.
Nanoscale
(2014)
6
9448
(doi: 10.1039/c4nr00324a)
A conformational factorisation approach for estimating the binding free energies of macromolecules
Phys Chem Chem Phys
(2014)
16
2842
(doi: 10.1039/c3cp53537a)
Exploring energy landscapes: from molecular to mesoscopic systems.
Physical Chemistry Chemical Physics
(2014)
16
5014
(doi: 10.1039/c3cp52603h)
Wide Exploration of OPEP Protein Energy Landscapes using Advanced Monte Carlo Methods
Biophysical Journal
(2014)
106
256A
(doi: 10.1016/j.bpj.2013.11.1505)
Observation time scale, free-energy landscapes, and molecular symmetry.
Proc Natl Acad Sci U S A
(2013)
111
617
(doi: 10.1073/pnas.1319599111)
