Efficient and Direct Generation of Multidimensional Free Energy Surfaces via Adiabatic Dynamics without Coordinate Transformations

Abrams, Jerry B., Tuckerman, Mark E.·2008·The Journal of Physical Chemistry B
DOI 10.1021/jp805039u

Cited by (221)

Items 201–221 of 221

  1. Quantum mechanics
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  2. The canonical ensemble
    Mark E. Tuckerman · 2023 · Oxford University Press eBooks
  3. Free-energy calculations
    Mark E. Tuckerman · 2023 · Oxford University Press eBooks
  4. Quantum ensembles and the density matrix
    Mark E. Tuckerman · 2023 · Oxford University Press eBooks
  5. Discrete models and critical phenomena
    Mark E. Tuckerman · 2023 · Oxford University Press eBooks
  6. The grand canonical ensemble
    Mark E. Tuckerman · 2023 · Oxford University Press eBooks
  7. Preface
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  8. Proof of the Trotter theorem
    Mark E. Tuckerman · 2023 · Oxford University Press eBooks
  9. Theoretical foundations of classical statistical mechanics
    Mark E. Tuckerman · 2023 · Oxford University Press eBooks
  10. Properties of the Dirac delta-function
    Mark E. Tuckerman · 2023 · Oxford University Press eBooks
  11. Dedication
    2023 · Oxford University Press eBooks
  12. Laplace transforms
    Mark E. Tuckerman · 2023 · Oxford University Press eBooks
  13. Variational analysis and AI algorithm implementation of free energy landscapes of molecular system
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  14. Constructing Generalized Sample Transition Probabilities with Biased Simulations
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  16. Protonation states of class-C $$\varvec{\beta}$$-lactamases determined by a combination of thermodynamic integration and unified free energy dynamics
    Shivani Verma, Nisanth N. Nair · 2026 · Journal of Chemical Sciences
  17. Assessment of halloysite clay nanotubes as adsorbents for removing tetracycline hydrochloride from contaminated aqueous systems via experimental study and SQM calculations
    Mariana R. L. Silva, Aisha V. S. Pereira, Anne B. F. Câmara, Heloise O. M. A. Moura, Sérgio R. B. Silva, Miguel A. F. de Souza, L. C. Bertolino, Daniel Ballesteros‐Plata, Enrique Rodrı́guez-Castellón, Luciene Santos de Carvalho · 2026 · Physical Chemistry Chemical Physics
  18. Computer simulations to engineer PDZ-peptide recognition
    Francesco Villa · 2018 · theses.fr (ABES)
  19. Machine learning and adaptive sampling to predict finite-temperature properties in metallic materials at the atomic scale
    Anruo Zhong · 2024
  20. Clay-multiwalled carbon nanotube nanocomposite for sensitive electrochemical detection of methylene blue dye
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  21. Consensus-Based Adaptive Sampling and Approximation for High-Dimensional Energy Landscapes
    Liyao Lyu, Huan Lei · 2026 · SIAM Journal on Scientific Computing