-
1
-
-
0003449662
-
A Guide to Monte Carlo Simulations in Statistical Physics
-
Cambridge University Press, Cambridge, England
-
D. Landau and K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics (Cambridge University Press, Cambridge, England, 2005).
-
(2005)
-
-
Landau, D.1
Binder, K.2
-
2
-
-
85067747702
-
Energy Landscapes: Applications to Clusters, Biomolecules and Glasses Cambridge University Press, Cambridge
-
D. J. Wales, Energy Landscapes: Applications to Clusters, Biomolecules and Glasses (Cambridge University Press, Cambridge, England, 2005).
-
(2005)
England
-
-
Wales, D.J.1
-
3
-
-
0342929614
-
Nonphysical Sampling Distributions in Monte Carlo Free-Energy Estimation: Umbrella Sampling
-
G. M. Torrie and J. P. Valleau, Nonphysical Sampling Distributions in Monte Carlo Free-Energy Estimation: Umbrella Sampling, J. Comput. Phys. 23, 187 (1977).
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 187
-
-
Torrie, G.M.1
Valleau, J.P.2
-
4
-
-
4243613377
-
Multicanonical Ensemble: A New Approach to Simulate First-Order Phase Transitions
-
B. A. Berg and T. Neuhaus, Multicanonical Ensemble: A New Approach to Simulate First-Order Phase Transitions, Phys. Rev. Lett. 68, 9 (1992).
-
(1992)
Phys. Rev. Lett.
, vol.68
, pp. 9
-
-
Berg, B.A.1
Neuhaus, T.2
-
5
-
-
6644221271
-
Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States
-
F. Wang and D. P. Landau, Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States, Phys. Rev. Lett. 86, 2050 (2001).
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 2050
-
-
Wang, F.1
Landau, D.P.2
-
6
-
-
35949020425
-
Replica Monte Carlo Simulation of Spin-Glasses
-
R. H. Swendsen and J.-S. Wang, Replica Monte Carlo Simulation of Spin-Glasses, Phys. Rev. Lett. 57, 2607 (1986).
-
(1986)
Phys. Rev. Lett.
, vol.57
, pp. 2607
-
-
Swendsen, R.H.1
Wang, J.-S.2
-
7
-
-
33747349191
-
Nonuniversal Critical Dynamics in Monte Carlo Simulations
-
R. H. Swendsen and J.-S. Wang, Nonuniversal Critical Dynamics in Monte Carlo Simulations, Phys. Rev. Lett. 58, 86 (1987).
-
(1987)
Phys. Rev. Lett.
, vol.58
, pp. 86
-
-
Swendsen, R.H.1
Wang, J.-S.2
-
8
-
-
0001616080
-
Replica-Exchange Molecular Dynamics Method for Protein Folding
-
Y. Sugita and Y. Okamoto, Replica-Exchange Molecular Dynamics Method for Protein Folding, Chem. Phys. Lett. 314, 141 (1999).
-
(1999)
Chem. Phys. Lett.
, vol.314
, pp. 141
-
-
Sugita, Y.1
Okamoto, Y.2
-
10
-
-
4243819810
-
New Monte Carlo Technique for Studying Phase Transitions
-
A. M. Ferrenberg and R. H. Swendsen, New Monte Carlo Technique for Studying Phase Transitions, Phys. Rev. Lett. 61, 2635 (1988).
-
(1988)
Phys. Rev. Lett.
, vol.61
, pp. 2635
-
-
Ferrenberg, A.M.1
Swendsen, R.H.2
-
11
-
-
33947398571
-
Use of the Weighted Histogram Analysis Method for the Analysis of Simulated and Parallel Tempering Simulations
-
J. D. Chodera,W. C. Swope, J.W. Pitera, C. Seok, and K. A. Dill, Use of the Weighted Histogram Analysis Method for the Analysis of Simulated and Parallel Tempering Simulations, J. Chem. Theory Comput. 3, 26 (2007).
-
(2007)
J. Chem. Theory Comput.
, vol.3
, pp. 26
-
-
Chodera, J.D.1
Swope, W.C.2
Pitera, J.W.3
Seok, C.4
Dill, K.A.5
-
12
-
-
84884819876
-
Surveying a Complex Potential Energy Landscape: Overcoming Broken Ergodicity Using Basin-Sampling
-
D. J. Wales, Surveying a Complex Potential Energy Landscape: Overcoming Broken Ergodicity Using Basin-Sampling, Chem. Phys. Lett. 584, 1 (2013).
-
(2013)
Chem. Phys. Lett.
, vol.584
, pp. 1
-
-
Wales, D.J.1
-
13
-
-
0000672765
-
Evolution of the Potential Energy Surface with Size for Lennard-Jones Clusters
-
J. P. K. Doye, M. A. Miller, and D. J.Wales, Evolution of the Potential Energy Surface with Size for Lennard-Jones Clusters, J. Chem. Phys. 111, 8417 (1999).
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 8417
-
-
Doye, J.P.K.1
Miller, M.A.2
Wales, D.J.3
-
14
-
-
3543052006
-
Thermodynamics of Global Optimization
-
J. P. K. Doye and D. J. Wales, Thermodynamics of Global Optimization, Phys. Rev. Lett. 80, 1357 (1998).
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 1357
-
-
Doye, J.P.K.1
Wales, D.J.2
-
15
-
-
33646795288
-
Performances of Wang-Landau Algorithms for Continuous Systems
-
P. Poulain, F. Calvo, R. Antoine, M. Broyer, and Ph. Dugourd, Performances of Wang-Landau Algorithms for Continuous Systems, Phys. Rev. E 73, 056704 (2006).
-
(2006)
Phys. Rev. E
, vol.73
, pp. 056704
-
-
Poulain, P.1
Calvo, F.2
Antoine, R.3
Broyer, M.4
Dugourd, P.5
-
16
-
-
33646459944
-
Structural Transitions and Melting in LJ74-78 Lennard-Jones Clusters from Adaptive Exchange Monte Carlo Simulations
-
V. A. Mandelshtam, P. A. Frantsuzov, and F. Calvo, Structural Transitions and Melting in LJ74-78 Lennard-Jones Clusters from Adaptive Exchange Monte Carlo Simulations, J. Phys. Chem. A 110, 5326 (2006).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 5326
-
-
Mandelshtam, V.A.1
Frantsuzov, P.A.2
Calvo, F.3
-
17
-
-
36048971026
-
Solid-Solid Structural Transformations in Lennard-Jones Clusters: Accurate Simulations versus the Harmonic Superposition Approximation
-
V. A. Sharapov and V. A. Mandelshtam, Solid-Solid Structural Transformations in Lennard-Jones Clusters: Accurate Simulations versus the Harmonic Superposition Approximation, J. Phys. Chem. A 111, 10284 (2007).
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 10284
-
-
Sharapov, V.A.1
Mandelshtam, V.A.2
-
18
-
-
33947168305
-
Low-Temperature Structural Transitions: Circumventing the Broken-Ergodicity Problem
-
V. A. Sharapov, D. Meluzzi, and V. A. Mandelshtam, Low-Temperature Structural Transitions: Circumventing the Broken-Ergodicity Problem, Phys. Rev. Lett. 98, 105701 (2007).
-
(2007)
Phys. Rev. Lett.
, vol.98
, pp. 105701
-
-
Sharapov, V.A.1
Meluzzi, D.2
Mandelshtam, V.A.3
-
19
-
-
35148901361
-
Nested Sampling for General Bayesian Computation
-
J. Skilling, Nested Sampling for General Bayesian Computation, Bayesian Anal. 1, 833 (2006).
-
(2006)
Bayesian Anal
, vol.1
, pp. 833
-
-
Skilling, J.1
-
20
-
-
33644772615
-
A Nested Sampling Algorithm for Cosmological Model Selection
-
P. Mukherjee, D. Parkinson, and A. R. Liddle, A Nested Sampling Algorithm for Cosmological Model Selection, Astrophys. J. 638, L51 (2006).
-
(2006)
Astrophys. J.
, vol.638
, pp. L51
-
-
Mukherjee, P.1
Parkinson, D.2
Liddle, A.R.3
-
21
-
-
38849196929
-
Multimodal Nested Sampling: An Efficient and Robust Alternative to Markov Chain Monte Carlo Methods for Astronomical Data Analyses
-
F. Feroz and M. P. Hobson, Multimodal Nested Sampling: An Efficient and Robust Alternative to Markov Chain Monte Carlo Methods for Astronomical Data Analyses, Mon. Not. R. Astron. Soc. 384, 449 (2008).
-
(2008)
Mon. Not. R. Astron. Soc.
, vol.384
, pp. 449
-
-
Feroz, F.1
Hobson, M.P.2
-
22
-
-
34547375807
-
Efficient Bayesian Inference for Multimodal Problems in Cosmology
-
J. R. Shaw, M. Bridges, and M. P. Hobson, Efficient Bayesian Inference for Multimodal Problems in Cosmology, Mon. Not. R. Astron. Soc. 378, 1365 (2007).
-
(2007)
Mon. Not. R. Astron. Soc.
, vol.378
, pp. 1365
-
-
Shaw, J.R.1
Bridges, M.2
Hobson, M.P.3
-
23
-
-
70349215183
-
MultiNest: An Efficient and Robust Bayesian Inference Tool for Cosmology and Particle Physics
-
F. Feroz, M. P. Hobson, and M. Bridges, MultiNest: An Efficient and Robust Bayesian Inference Tool for Cosmology and Particle Physics, Mon. Not. R. Astron. Soc. 398, 1601 (2009).
-
(2009)
Mon. Not. R. Astron. Soc.
, vol.398
, pp. 1601
-
-
Feroz, F.1
Hobson, M.P.2
Bridges, M.3
-
24
-
-
84864048516
-
Nested Sampling for Potts Models
-
I. Murray, D. J. C. MacKay, Z. Ghahramani, and J. Skilling, Nested Sampling for Potts Models, Adv. Neural Inf. Process. Syst. 18, 947 (2006).
-
(2006)
Adv. Neural Inf. Process. Syst.
, vol.18
, pp. 947
-
-
Murray, I.1
MacKay, D.J.C.2
Ghahramani, Z.3
Skilling, J.4
-
25
-
-
77955565010
-
Efficient Sampling of Atomic Configurational Spaces
-
L. B. Pártay, A. P. Bartók, and G. Csányi, Efficient Sampling of Atomic Configurational Spaces, J. Phys. Chem. B 114, 10502 (2010).
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 10502
-
-
Pártay, L.B.1
Bartók, A.P.2
Csányi, G.3
-
26
-
-
84903362699
-
Nested Sampling in the Canonical Ensemble: Direct Calculation of the Partition Function from NVT Trajectories
-
S. O. Nielsen, Nested Sampling in the Canonical Ensemble: Direct Calculation of the Partition Function from NVT Trajectories, J. Chem. Phys. 139, 124104 (2013).
-
(2013)
J. Chem. Phys.
, vol.139
, pp. 124104
-
-
Nielsen, S.O.1
-
27
-
-
84857302692
-
Exploring the Energy Landscapes of Protein Folding Simulations with Bayesian Computation
-
N. S. Burkoff, C. Várnai, S. A. Wells, and D. L. Wild, Exploring the Energy Landscapes of Protein Folding Simulations with Bayesian Computation, Biophys. J. 102, 878 (2012).
-
(2012)
Biophys. J.
, vol.102
, pp. 878
-
-
Burkoff, N.S.1
Várnai, C.2
Wells, S.A.3
Wild, D.L.4
-
28
-
-
84897003503
-
Nested Sampling for Materials: The Case of Hard Spheres
-
L. B. Pártay, A. P. Bartók, and G. Csányi, Nested Sampling for Materials: The Case of Hard Spheres, Phys. Rev. E 89, 022302 (2014).
-
(2014)
Phys. Rev. E
, vol.89
, pp. 022302
-
-
Pártay, L.B.1
Bartók, A.P.2
Csányi, G.3
-
29
-
-
80051472308
-
Diffusive Nested Sampling
-
B. J. Brewer, L. B. Pártay, and G. Csányi, Diffusive Nested Sampling, Stat. Comput. 21, 649 (2011).
-
(2011)
Stat. Comput.
, vol.21
, pp. 649
-
-
Brewer, B.J.1
Pártay, L.B.2
Csányi, G.3
-
30
-
-
84880895104
-
Nested Sampling for Parameter Inference in Systems Biology: Application to an Exemplar Circadian Model
-
S. Aitken and O. Akman, Nested Sampling for Parameter Inference in Systems Biology: Application to an Exemplar Circadian Model, BMC Syst. Biol. 7, 72 (2013).
-
(2013)
BMC Syst. Biol.
, vol.7
, pp. 72
-
-
Aitken, S.1
Akman, O.2
-
31
-
-
84893374049
-
Nested Sampling for Bayesian Model Comparison in the Context of Salmonella Disease Dynamics
-
R. Dybowski, T. J. McKinley, P. Mastroeni, and O. Restif, Nested Sampling for Bayesian Model Comparison in the Context of Salmonella Disease Dynamics, PLoS One 8, e82317 (2013).
-
(2013)
PLoS One
, vol.8
, pp. e82317
-
-
Dybowski, R.1
McKinley, T.J.2
Mastroeni, P.3
Restif, O.4
-
32
-
-
84895766683
-
Bayesian Model Comparison and Parameter Inference in Systems Biology Using Nested Sampling
-
N. Pullen and R. J. Morris, Bayesian Model Comparison and Parameter Inference in Systems Biology Using Nested Sampling, PLoS One 9, e88419 (2014).
-
(2014)
PLoS One
, vol.9
, pp. e88419
-
-
Pullen, N.1
Morris, R.J.2
-
33
-
-
0023430366
-
Monte Carlo-Minimization Approach to the Multiple-Minima Problem in Protein Folding
-
Z. Li and H. A. Scheraga, Monte Carlo-Minimization Approach to the Multiple-Minima Problem in Protein Folding, Proc. Natl. Acad. Sci. U.S.A. 84, 6611 (1987).
-
(1987)
Proc. Natl. Acad. Sci. U. S. A.
, vol.84
, pp. 6611
-
-
Li, Z.1
Scheraga, H.A.2
-
34
-
-
0000560869
-
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
-
D. J. Wales and J. P. K. Doye, Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms, J. Phys. Chem. A 101, 5111 (1997).
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 5111
-
-
Wales, D.J.1
Doye, J.P.K.2
-
35
-
-
84874075287
-
Symmetrisation Schemes for Global Optimisation of Atomic Clusters
-
M. T. Oakley, R. L. Johnston, and D. J. Wales, Symmetrisation Schemes for Global Optimisation of Atomic Clusters, Phys. Chem. Chem. Phys. 15, 3965 (2013).
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 3965
-
-
Oakley, M.T.1
Johnston, R.L.2
Wales, D.J.3
-
36
-
-
0000986911
-
Vapor Phase Homogenous Nucleation and the Thermodynamic Properties of Small Clusters of Argon Atoms
-
D. J. McGinty, Vapor Phase Homogenous Nucleation and the Thermodynamic Properties of Small Clusters of Argon Atoms, J. Chem. Phys. 55, 580 (1971).
-
(1971)
J. Chem. Phys.
, vol.55
, pp. 580
-
-
McGinty, D.J.1
-
37
-
-
36849104342
-
Vibrational Frequencies and Entropies of Small Clusters of Atoms
-
J. J. Burton, Vibrational Frequencies and Entropies of Small Clusters of Atoms, J. Chem. Phys. 56, 3133 (1972).
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 3133
-
-
Burton, J.J.1
-
38
-
-
0001968287
-
Structure and Dynamics of Simple Microclusters
-
M. R. Hoare, Structure and Dynamics of Simple Microclusters, Adv. Chem. Phys. 40, 49 (1979).
-
(1979)
Adv. Chem. Phys.
, vol.40
, pp. 49
-
-
Hoare, M.R.1
-
39
-
-
0042091834
-
Packing Structures and Transitions in Liquids and Solids
-
F. H. Stillinger and T. A. Weber, Packing Structures and Transitions in Liquids and Solids, Science 225, 983 (1984).
-
(1984)
Science
, vol.225
, pp. 983
-
-
Stillinger, F.H.1
Weber, T.A.2
-
40
-
-
56649088054
-
Free Energy Surfaces from an Extended Harmonic Superposition Approach and Kinetics for Alanine Dipeptide
-
B. Strodel and D. J. Wales, Free Energy Surfaces from an Extended Harmonic Superposition Approach and Kinetics for Alanine Dipeptide, Chem. Phys. Lett. 466, 105 (2008).
-
(2008)
Chem. Phys. Lett.
, vol.466
, pp. 105
-
-
Strodel, B.1
Wales, D.J.2
-
41
-
-
77953560530
-
Coexistence in Small Inert Gas Clusters
-
D. J. Wales, Coexistence in Small Inert Gas Clusters, Mol. Phys. 78, 151 (1993).
-
(1993)
Mol. Phys.
, vol.78
, pp. 151
-
-
Wales, D.J.1
-
42
-
-
36449001250
-
An Order Parameter Approach to Coexistence in Atomic Clusters
-
J. P. K. Doye and D. J. Wales, An Order Parameter Approach to Coexistence in Atomic Clusters, J. Chem. Phys. 102, 9673 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 9673
-
-
Doye, J.P.K.1
Wales, D.J.2
-
43
-
-
36448999770
-
Calculation of Thermodynamic Properties of Small Lennard-Jones Clusters Incorporating Anharmonicity
-
J. P. K. Doye and D. J. Wales, Calculation of Thermodynamic Properties of Small Lennard-Jones Clusters Incorporating Anharmonicity, J. Chem. Phys. 102, 9659 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 9659
-
-
Doye, J.P.K.1
Wales, D.J.2
-
44
-
-
0035656766
-
Characterization of Anharmonicities on Complex Potential Energy Surfaces: Perturbation Theory and Simulation
-
F. Calvo, J. P. K. Doye, and D. J.Wales, Characterization of Anharmonicities on Complex Potential Energy Surfaces: Perturbation Theory and Simulation, J. Chem. Phys. 115, 9627 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 9627
-
-
Calvo, F.1
Doye, J.P.K.2
Wales, D.J.3
-
45
-
-
84867552688
-
Self-Consistent Phonons Revisited. I. The Role of Thermal versus Quantum Fluctuations on Structural Transitions in Large Lennard-Jones Clusters
-
I. Georgescu and V. A. Mandelshtam, Self-Consistent Phonons Revisited. I. The Role of Thermal versus Quantum Fluctuations on Structural Transitions in Large Lennard-Jones Clusters, J. Chem. Phys. 137, 144106 (2012).
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 144106
-
-
Georgescu, I.1
Mandelshtam, V.A.2
-
46
-
-
85067771130
-
-
The normalized fraction of configuration space Xi = ΩE≤ER=Ωtot ε (0,1). Since nested sampling assumes uniform sampling in phase space, estimating Xi becomes analogous to estimating the Rth largest position out of K points sampled at random on a unit segment. The point with the Rth largest position will be distributed on the unit line as beta{eth}K - R {thorn} 1;R{Thorn}
-
The normalized fraction of configuration space Xi = ΩE≤ER=Ωtot ε (0,1). Since nested sampling assumes uniform sampling in phase space, estimating Xi becomes analogous to estimating the Rth largest position out of K points sampled at random on a unit segment. The point with the Rth largest position will be distributed on the unit line as beta{eth}K - R {thorn} 1;R{Thorn}.
-
-
-
-
47
-
-
84862273800
-
Global Optimization
-
B. Hartke, Global Optimization, Comput. Mol. Sci. 1, 879 (2011).
-
(2011)
Comput. Mol. Sci.
, vol.1
, pp. 879
-
-
Hartke, B.1
-
48
-
-
0033610078
-
Global Optimization of Clusters, Crystals, and Biomolecules
-
D. J. Wales, Global Optimization of Clusters, Crystals, and Biomolecules, Science 285, 1368 (1999).
-
(1999)
Science
, vol.285
, pp. 1368
-
-
Wales, D.J.1
-
49
-
-
0042091834
-
Packing Structures and Transitions in Liquids and Solids
-
F. H. Stillinger and T. A. Weber, Packing Structures and Transitions in Liquids and Solids, Science 225, 983 (1984).
-
(1984)
Science
, vol.225
, pp. 983
-
-
Stillinger, F.H.1
Weber, T.A.2
-
50
-
-
84885462196
-
Energy Landscapes and Global Thermodynamics for Alanine Peptides
-
S. Somani and D. J. Wales, Energy Landscapes and Global Thermodynamics for Alanine Peptides, J. Chem. Phys. 139, 121909 (2013).
-
(2013)
J. Chem. Phys.
, vol.139
, pp. 121909
-
-
Somani, S.1
Wales, D.J.2
-
51
-
-
0347319415
-
Stationary Points and Dynamics in High-Dimensional Systems
-
D. J. Wales and J. P. K. Doye, Stationary Points and Dynamics in High-Dimensional Systems, J. Chem. Phys. 119, 12409 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 12409
-
-
Wales, D.J.1
Doye, J.P.K.2
-
53
-
-
0000666868
-
Smart Walking: A New Method for Boltzmann Sampling of Protein Conformations
-
R. Zhou and B. J. Berne, Smart Walking: A New Method for Boltzmann Sampling of Protein Conformations, J. Chem. Phys. 107, 9185 (1997).
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 9185
-
-
Zhou, R.1
Berne, B.J.2
-
54
-
-
0035932735
-
Smart Darting Monte Carlo
-
I. Andricioaei, J. E. Straub, and A. F. Voter, Smart Darting Monte Carlo, J. Chem. Phys. 114, 6994 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 6994
-
-
Andricioaei, I.1
Straub, J.E.2
Voter, A.F.3
-
55
-
-
84872397650
-
-
for details of how to sample configurations from a harmonic well, discussion of detailed balance for the Hamiltonian replica-exchange moves, discussion of the scaling of the onset function in Eq. 8), complete pseudocode implementations of the algorithms described in the main text, results for LJ38 cluster and swap statistics for the exact SENS calculations
-
See Supplemental Material at http://link.aps.org/ supplemental/10.1103/PhysRevX.4.031034 for details of how to sample configurations from a harmonic well, discussion of detailed balance for the Hamiltonian replica-exchange moves, discussion of the scaling of the onset function in Eq. (8), complete pseudocode implementations of the algorithms described in the main text, results for LJ38 cluster and swap statistics for the exact SENS calculations.
-
See Supplemental Material at
-
-
-
56
-
-
84892728136
-
A Conformational Factorisation Approach for Estimating the Binding Free Energies of Macromolecules
-
K. Mochizuki, C. S. Whittleston, S. Somani, H. Kusumaatmaja, and D. J. Wales, A Conformational Factorisation Approach for Estimating the Binding Free Energies of Macromolecules, Phys. Chem. Chem. Phys. 16, 2842 (2014).
-
(2014)
Phys. Chem. Chem. Phys.
, vol.16
, pp. 2842
-
-
Mochizuki, K.1
Whittleston, C.S.2
Somani, S.3
Kusumaatmaja, H.4
Wales, D.J.5
-
57
-
-
84880550029
-
A Left-Handed Building Block Self-Assembles into Rightand Left-Handed Helices
-
S.W. Olesen, S. N. Fejer, D. Chakrabarti, and D. J. Wales, A Left-Handed Building Block Self-Assembles into Rightand Left-Handed Helices, R. Soc. Chem. Adv. 3, 12905 (2013).
-
(2013)
R. Soc. Chem. Adv.
, vol.3
, pp. 12905
-
-
Olesen, S.W.1
Fejer, S.N.2
Chakrabarti, D.3
Wales, D.J.4
-
58
-
-
84879751802
-
Local Frustration Determines Molecular and Macroscopic Helix Structures
-
C. J. Forman, S. N. Fejer, D. Chakrabarti, P. D. Barker, and D. J. Wales, Local Frustration Determines Molecular and Macroscopic Helix Structures, J. Phys. Chem. B 117, 7918 (2013).
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 7918
-
-
Forman, C.J.1
Fejer, S.N.2
Chakrabarti, D.3
Barker, P.D.4
Wales, D.J.5
-
59
-
-
18644374996
-
Parallel Excluded Volume Tempering for Polymer Melts
-
A. Bunker and B. Dünweg, Parallel Excluded Volume Tempering for Polymer Melts, Phys. Rev. E 63, 016701 (2000).
-
(2000)
Phys. Rev. E
, vol.63
, pp. 016701
-
-
Bunker, A.1
Dünweg, B.2
-
60
-
-
0037157317
-
On the Hamiltonian Replica Exchange Method for Efficient Sampling of Biomolecular Systems: Application to Protein Structure Prediction
-
H. Fukunishi, O. Watanabe, and S. Takada, On the Hamiltonian Replica Exchange Method for Efficient Sampling of Biomolecular Systems: Application to Protein Structure Prediction, J. Chem. Phys. 116, 9058 (2002).
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 9058
-
-
Fukunishi, H.1
Watanabe, O.2
Takada, S.3
|