Reference health
Exploring Energy Landscapes
94/94 checkable references clean · checked 2026-07-23
Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.
4 without a DOI — not checked. A reference deposited without a DOI is never matched by title or guessed at; it stays outside the checked set, and this line discloses that.
The 94 checked references that resolve
resolves10.1063/1.1323224
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
resolves10.1063/1.1329672
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
resolves10.1063/1.480097
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
resolves10.1016/S0009-2614(01)00334-7
Transition states and rearrangement mechanisms from hybrid eigenvector-following and density functional theory.
resolves10.1016/j.sbi.2008.01.008
Transition networks for modeling the kinetics of conformational change in macromolecules
resolves10.1371/journal.pcbi.1000415
Exploring the Free Energy Landscape: From Dynamics to Networks and Back
resolves10.1080/00268970410001703363
Some further applications of discrete path sampling to cluster isomerization
resolves10.1016/j.cplett.2008.10.085
Free energy surfaces from an extended harmonic superposition approach and kinetics for alanine dipeptide
resolves10.1103/PhysRevLett.98.105701
Low-Temperature Structural Transitions: Circumventing the Broken-Ergodicity Problem
resolves10.1063/1.1436470
Saddle points and dynamics of Lennard-Jones clusters, solids, and supercooled liquids
resolves10.1063/1.473299
The topology of multidimensional potential energy surfaces: Theory and application to peptide structure and kinetics
resolves10.1021/jp970984n
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
resolves10.1063/1.481671
Phase changes in 38-atom Lennard-Jones clusters. I. A parallel tempering study in the canonical ensemble
resolves10.1063/1.481672
Phase changes in 38-atom Lennard-Jones clusters. II. A parallel tempering study of equilibrium and dynamic properties in the molecular dynamics and microcanonical ensembles
resolves10.1063/1.1860331
Thermodynamics and equilibrium structure of Ne38 cluster: Quantum mechanics versus classical
resolves10.1021/jp050367w
On the Convergence of Parallel Tempering Monte Carlo Simulations of LJ<sub>38</sub>
resolves10.1021/jp072929c
Solid−Solid Structural Transformations in Lennard-Jones Clusters: Accurate Simulations versus the Harmonic Superposition Approximation
resolves10.1098/rspa.1925.0047
On the calculation of certain crystal potential constants, and on the cubic crystal of least potential energy
resolves10.1063/1.480217
Evolution of the potential energy surface with size for Lennard-Jones clusters
resolves10.1021/jp055839l
Structural Transitions and Melting in LJ<sub>74</sub><sub>-</sub><sub>78</sub> Lennard-Jones Clusters from Adaptive Exchange Monte Carlo Simulations
resolves10.1103/PhysRevE.82.046703
Free-energy landscapes from adaptively biased methods: Application to quantum systems
resolves10.1016/j.cplett.2013.07.066
Surveying a complex potential energy landscape: Overcoming broken ergodicity using basin-sampling
resolves10.1063/1.3609972
Simulating structural transitions by direct transition current sampling: The example of LJ38
resolves10.1063/1.3131690
Connectivity in the potential energy landscape for binary Lennard-Jones systems
resolves10.1063/1.4954324
Dynamics of a molecular glass former: Energy landscapes for diffusion in ortho-terphenyl
resolves10.1063/1.4977794
Defining and quantifying frustration in the energy landscape: Applications to atomic and molecular clusters, biomolecules, jammed and glassy systems
resolves10.1039/c0sm01507e
Coupled linear and rotary motion in supramolecular helix handedness inversion
resolves10.1021/acs.jctc.7b00024
Transforming the Energy Landscape of a Coiled-Coil Peptide via Point Mutations
resolves10.1073/pnas.0406234101
Hidden complexity of free energy surfaces for peptide (protein) folding
resolves10.1021/jp060039b
One-Dimensional Free-Energy Profiles of Complex Systems: Progress Variables that Preserve the Barriers
resolves10.1002/prot.21565
Kinetic analysis of molecular dynamics simulations reveals changes in the denatured state and switch of folding pathways upon single‐point mutation of a β‐sheet miniprotein
resolves10.1063/1.4916307
Perspective: Insight into reaction coordinates and dynamics from the potential energy landscape
resolves10.1063/1.464952
Absolute classical densities of states for very anharmonic systems and applications to the evaporation of rare gas clusters
resolves10.1021/ct5008718
Benchmarks for Characterization of Minima, Transition States, and Pathways in Atomic, Molecular, and Condensed Matter Systems
resolves10.1063/1.468785
Calculation of thermodynamic properties of small Lennard-Jones clusters incorporating anharmonicity
resolves10.1063/1.1415462
Characterization of anharmonicities on complex potential energy surfaces: Perturbation theory and simulation
resolves10.1063/1.4754819
Self-consistent phonons revisited. I. The role of thermal versus quantum fluctuations on structural transitions in large Lennard-Jones clusters
resolves10.1073/pnas.84.19.6611
Monte Carlo-minimization approach to the multiple-minima problem in protein folding.
resolves10.1063/1.4893344
Communication: Optimal parameters for basin-hopping global optimization based on Tsallis statistics
resolves10.1016/0009-2614(96)00636-7
Ni Al alloy clusters: analysis of structural forms and their energy ordering
resolves10.1063/1.4843956
Communication: A new paradigm for structure prediction in multicomponent systems
resolves10.1103/PhysRevLett.113.156102
Structure Prediction for Multicomponent Materials Using Biminima
resolves10.1039/C5CP01198A
Quasi-combinatorial energy landscapes for nanoalloy structure optimisation
resolves10.1103/PhysRevLett.65.1567
Statistical thermodynamics of the cluster solid-liquid transition
resolves10.1016/S0009-2614(95)01226-5
Configurational density of states from molecular dynamics simulations
resolves10.1103/PhysRevE.93.012906
Turning intractable counting into sampling: Computing the configurational entropy of three-dimensional jammed packings
resolves10.1007/978-3-319-14612-6_31
Mapping the Energy Landscape of Non-convex Optimization Problems
resolves10.1016/j.cplett.2016.11.031
Machine learning prediction for classification of outcomes in local minimisation
resolves10.1039/ft9928800653
Basins of attraction for stationary points on a potential-energy surface
The 4 references without a DOI — listed, not checked
no DOI — not checkedTheory of Unimolecular Reactions
no DOI — not checkedEnergy Landscapes
no DOI — not checkedComputing Science and Statistics: Proceedings of the 23rd Symposium on the Interface
no DOI — not checkedUnderstanding Molecular Simulation
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