Concepedia

Normal Mode Sampling

Normal Mode Sampling is a conformational sampling method that generates molecular configurations by perturbing a reference structure along low-frequency vibrational modes derived from the Hessian matrix of the system's potential energy surface.

18

Publications

483

Citations

49

Authors

32

Institutions

Publications per year

2017–2026

4

Parents

Publications

18

Metadynamics for training neural network model chemistries: A competitive assessment

John E. Herr, Kun Yao, Ryker Mcintyre et al. · The Journal of Chemical Physics · 2018 · 81 citations · Full text

, , +16

Normal mode partitioning of Langevin dynamics for biomolecules

Christopher Sweet, Paula Petrone, Vijay S. Pande et al. · The Journal of Chemical Physics · 2008 · 63 citations · Full text

, , +17

Direct methods for computing single‐molecule entropies from molecular simulations

Dimas Suárez, Natalia Díaz · Wiley Interdisciplinary Reviews Computational Molecular Science · 2014 · 52 citations · Full text

, , +14

Adiabatic Switching Extended To Prepare Semiclassically Quantized Rotational–Vibrational Initial States for Quasiclassical Trajectory Calculations

Tibor Nagy, György Lendvay · The Journal of Physical Chemistry Letters · 2017 · 37 citations

, , +16

A Direct Classical Trajectory Study of HCl Elimination from the 193 nm Photodissociation of Vinyl Chloride

Emilio Martı́nez-Núñez, Antonio Fernández‐Ramos, Saulo A. Vázquez et al. · The Journal of Physical Chemistry A · 2003 · 28 citations

, , +14

1–5 of 18

Authors

49

  1. EM
    Emilio Martı́nez-Núñez

    Universidade de Santiago de Compostela, Spain

    2 publications · 44 citations

    2

    h-index

  2. SA
    Saulo A. Vázquez

    Universidade de Santiago de Compostela, Spain

    2 publications · 44 citations

    2

    h-index

  3. GL
    György Lendvay

    Hungarian Academy of Sciences, Hungary

    2 publications · 51 citations

    2

    h-index

  4. TN
    Tibor Nagy

    Eötvös Loránd University, Hungary

    2 publications · 51 citations

    2

    h-index

  5. SC
    Steve Constable

    University of Waterloo, Canada

    1 publications · 24 citations

    1

    h-index

1–5 of 49

Institutions

32

  1. University of Notre Dame

    Notre Dame, United States

    2 h-index

    7 publications

    531 citations

  2. Universidade de Santiago de Compostela

    Santiago de Compostela, Spain

    2 h-index

    7 publications

    172 citations

  3. Stanford University

    Stanford, United States

    2 h-index

    4 publications

    148 citations

  4. Institute of Materials and Environmental Chemistry

    Budapest, Hungary

    2 h-index

    5 publications

    116 citations

  5. HUN-REN Research Centre for Natural Sciences

    Budapest, Hungary

    2 h-index

    5 publications

    116 citations

  6. Universidad de Oviedo

    Oviedo, Spain

    1 h-index

    2 publications

    104 citations

  7. University of Vienna

    Vienna, Austria

    1 h-index

    3 publications

    69 citations

  8. Australian National University

    Canberra, Australia

    1 h-index

    1 publications

    14 citations

1–8 of 32

Venues

  1. The Journal of Chemical Physics

    7 publications · 240 citations

    7

    h-index

  2. Physical Chemistry Chemical Physics

    PCCP · 3 publications · 50 citations

    3

    h-index

  3. The Journal of Physical Chemistry A

    1 publications · 28 citations

    1

    h-index

  4. 1

    h-index

  5. PLoS Computational Biology

    1 publications · 11 citations

    1

    h-index

1–5