The Net Advance of Physics:
MOLECULAR DYNAMICS

MOLECULAR PHYSICS: DYNAMICS:

• General:MIT Open Courseware:
  • 5.80 Postgraduate Small-Molecule Spectroscopy and Dynamics by Robert Field [2008 Fall]

• General:
  • Quantum Chemistry by Henry Eyring et al. [New York: John Wiley, 1944]
  • Simulations: the dark side by Daan Frenkel [2012/11]
  • Accurate ro-vibrational calculations on small molecules by Jonathan Tennyson [2016/09]
  • Three Waves [i.e. historical eras] of Chemical Dynamics by A. N. Gorban and G. S. Yablonsky [2019/06]
  • Using Data-Reduction Techniques to Analyse Biomolecular Trajectories by Gareth A. Tribello and Piero Gasparotto [2019/07]
  • A concise introduction to molecular dynamics simulation: Theory and programming by A. Shekaari and M. Jafari [2021/03]

• General: COMPUTATIONAL METHODS:
  • Machine Learning for Molecular Simulation by F. Noé et al. [2019/11]
  • Enhanced sampling with machine learning: A review by S. Mehdi et al. [2023/06]

• Type: WAVE PACKET:
  • A Review of Wave Packet Molecular Dynamics by Paul E. Grabowski [2014/08]

• Aspects: SPECTROSCOPY;

• Aspects: REACTION COORDINATES:
  • Recent Developments in Methods for Identifying Reaction Coordinates by Wenjin Li and Ao Ma [Molecular Simulation 40, 784 (2014)]

• Aspects: SHORTCUTS TO ADIABATICITY:
  • Focus on Shortcuts to Adiabadicity by Adolfo del Campo [2019/02]
  • Shortcuts to Adiabaticity: Concepts, Methods, and Applications by D. Guéry-Odelin et al. [2019/04]

• Re: FERMIONS:
  • Molecular Dynamics for Fermions by H. Feldmeier and J. Schnack [Rev. Mod. Phys. 72, 655 (2000)]
  • Progress of quantum molecular dynamics model and its applications in heavy ion physics by Y. Zhang et al. [2020/05]

• Re: MACROMOLECULES:
  • Macromolecular Dynamics. An introductory lecture by Joachim Wuttke [2011/03]
  • Current topics, methods, and challenges in the modelling of intrinsically disordered proteins [by Molecular Dynamics] by R. Xian and S. Rauscher [2022/11]

• Re: POLARITONS:
  • Polariton Chemistry: controlling molecular dynamics with optical cavities by Raphael F. Ribeiro et al. [2018/02]

ArXiv to

THE NET ADVANCE OF PHYSICS