,
Energy Landscapes, 2003. ,
URL : https://hal.archives-ouvertes.fr/hal-01423280
Free energy computations: A mathematical perspective, 2010. ,
Monte Carlo simulations in statistical physics: From basic principles to advanced applications. Order, Disorder and Criticality: Advanced Problems of Phase Transition Theory, vol.3, pp.93-166, 2012. ,
A guide to Monte Carlo simulations in statistical physics, 2014. ,
Efficient, multiple-range random walk algorithm to calculate the density of states, Physical review letters, vol.86, issue.10, p.2050, 2001. ,
A new approach to Monte Carlo simulations in statistical physics: Wang-Landau sampling, American Journal of Physics, vol.72, issue.10, pp.1294-1302, 2004. ,
Broken ergodicity, Advances in Physics, vol.31, issue.6, pp.669-735, 1982. ,
Observation time scale, free-energy landscapes, and molecular symmetry, Proceedings of the National Academy of Sciences, vol.111, issue.2, pp.617-622, 2014. ,
Monte carlo sampling methods using markov chains and their applications, Biometrika, vol.57, issue.1, pp.97-109, 1970. ,
Fast algorithm to calculate density of states, Physical Review E, vol.75, issue.4, p.46701, 2007. ,
Wang-Landau algorithm: A theoretical analysis of the saturation of the error, The Journal of chemical physics, vol.127, issue.18, p.184105, 2007. ,
An adaptive interacting Wang-Landau algorithm for automatic density exploration, Journal of Computational and Graphical Statistics, vol.22, issue.3, pp.749-773, 2013. ,
URL : https://hal.archives-ouvertes.fr/hal-00634211
Nonconvergence of the Wang-Landau algorithms with multiple random walkers, Physical Review E, vol.93, issue.5, p.53306, 2016. ,
The Wang-Landau algorithm reaches the flat histogram criterion in finite time, The Annals of Applied Probability, vol.24, issue.1, pp.34-53, 2014. ,
URL : https://hal.archives-ouvertes.fr/hal-00633793
, Convergence of the Wang-Landau algorithm. Mathematics of Computation, vol.84, pp.2297-2327, 2015.
URL : https://hal.archives-ouvertes.fr/hal-01238595
Thermodynamics of RNA structures by wang-landau sampling, Bioinformatics, vol.26, issue.12, pp.278-286, 2010. ,
Performances of Wang-Landau algorithms for continuous systems, Physical Review E, vol.73, issue.5, p.56704, 2006. ,
URL : https://hal.archives-ouvertes.fr/inserm-00264367
Electric field-driven disruption of a native ?-sheet protein conformation and generation of a helix-structure, Biophysical journal, vol.99, issue.2, pp.595-599, 2010. ,
Improving the wang-landau algorithm for polymers and proteins, Journal of computational chemistry, vol.32, issue.5, pp.816-821, 2011. ,
Thermodynamics and structure of macromolecules from flathistogram Monte Carlo simulations, Soft matter, vol.12, issue.3, pp.642-657, 2016. ,
A 1/t algorithm with the density of two states for estimating multidimensional integrals, Computer Physics Communications, vol.220, pp.122-128, 2017. ,
Markov chains and stochastic stability, 2012. ,
A note on Metropolis-Hastings kernels for general state spaces, Annals of applied probability, pp.1-9, 1998. ,
Markov chain Monte Carlo convergence diagnostics: a comparative review, Journal of the American Statistical Association, vol.91, issue.434, pp.883-904, 1996. ,
Optimal scaling for various Metropolis-Hastings algorithms, Statistical science, vol.16, issue.4, pp.351-367, 2001. ,
Smart darting Monte Carlo, The Journal of Chemical Physics, vol.114, issue.16, pp.6994-7000, 2001. ,
Generalized darting Monte Carlo, Pattern Recognition, vol.44, issue.10, pp.2738-2748, 2011. ,
Monte Carlo-minimization approach to the multiple-minima problem in protein folding, vol.84, pp.6611-6615, 1987. ,
Hybridizing rapidly growing random trees and basin hopping yields an improved exploration of energy landscapes, J. Comp. Chem, vol.37, issue.8, pp.739-752, 2016. ,
URL : https://hal.archives-ouvertes.fr/hal-01423282
Coupling and ergodicity of adaptive MCMC, Journal of Applied Probablity, vol.44, pp.458-475, 2007. ,
A conceptual introduction to Hamiltonian Monte Carlo, 2017. ,
Riemann manifold langevin and hamiltonian monte carlo methods, Journal of the Royal Statistical Society: Series B (Statistical Methodology), vol.73, issue.2, pp.123-214, 2011. ,
entropically'stabilized region on the energy landscape of an ionic solid, Journal of Physics: Condensed Matter, vol.15, issue.32, p.5479, 2003. ,
Prediction, determination and validation of phase diagrams via the global study of energy landscapes, Int. J. of Materials Research, vol.100, issue.2, p.135, 2009. ,
A generic framework for Wang-Landau type algorithms. Submitted, 2020. ,
, The Structural Bioinformatics Library: modeling in biomolecular science and beyond, vol.7, pp.1-8, 2017.
URL : https://hal.archives-ouvertes.fr/hal-01379635
The alanine dipeptide free energy surface in solution, The Journal of chemical physics, vol.111, issue.12, pp.5568-5579, 1999. ,
Energy landscapes and global thermodynamics for alanine peptides, The Journal of Chemical Physics, vol.139, issue.12, 2013. ,
Application of nonlinear dimensionality reduction to characterize the conformational landscape of small peptides, Proteins: Structure, Function, and Bioinformatics, vol.78, issue.2, pp.223-235, 2010. ,
Concise formulas for the area and volume of a hyperspherical cap, Asian Journal of Mathematics and Statistics, vol.4, issue.1, pp.66-70, 2011. ,