• 313 Citations
  • 8 h-Index
20072019
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  • 2 Similar Profiles
Molecular dynamics Chemical Compounds
Discrete Fourier transforms Chemical Compounds
Density functional theory Chemical Compounds
Wheels Chemical Compounds
molecular dynamics Physics & Astronomy
electronics Physics & Astronomy
Hydrogen Chemical Compounds
Protons Chemical Compounds

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Research Output 2007 2019

  • 313 Citations
  • 8 h-Index
  • 21 Article
  • 1 Conference contribution
Hot carriers
Perovskite
methylidyne
Cooling
cooling
3 Citations (Scopus)

Role of Water on the Rotational Dynamics of the Organic Methylammonium Cation: A First Principles Analysis

Hoehn, R., Francisco, J. S., Kais, S. & Kachmar, A., 1 Dec 2019, In : Scientific Reports. 9, 1, 668.

Research output: Contribution to journalArticle

Cations
Water
methylamine
Fourier Analysis
Molecular Dynamics Simulation

Effects of Electron-Phonon Coupling on Electronic Properties of Methylammonium Lead Iodide Perovskites

Saidi, W. A. & Kachmar, A., 20 Dec 2018, In : Journal of Physical Chemistry Letters. 9, 24, p. 7090-7097 8 p.

Research output: Contribution to journalArticle

Phonons
Iodides
perovskites
Electronic properties
iodides

Free Energy Landscape of Sodium Solvation into Graphite

Kachmar, A. & Goddard, W. A., 20 May 2018, (Accepted/In press) In : Journal of Physical Chemistry C.

Research output: Contribution to journalArticle

Graphite
Solvation
Dimethyl sulfoxide
Free energy
solvation

New insights into the atomic structure of amorphous TiO2 using tight-binding molecular dynamics

Yang, K., Kachmar, A., Wang, B., Krishnan, N. M. A., Balonis, M., Sant, G. & Bauchy, M., 7 Sep 2018, In : Journal of Chemical Physics. 149, 9, 094501.

Research output: Contribution to journalArticle

atomic structure
Molecular dynamics
molecular dynamics
flexibility
topology