List of works by Murat Keçeli

Computation of the Thermal Expansion Coefficient of Graphene with Gaussian Approximation Potentials

scientific article published in 2021

Extensivity of energy and electronic and vibrational structure methods for crystals.

scientific article published on 3 January 2012

Fermi resonance in solid CO2 under pressure

scientific article published on 01 February 2013

First-principles calculations on anharmonic vibrational frequencies of polyethylene and polyacetylene in the Gamma approximation

scientific article published on 01 July 2010

First-principles theories for anharmonic lattice vibrations.

scientific article published in July 2010

Optimized coordinates for anharmonic vibrational structure theories.

scientific article published in November 2012

Response to "Comment on 'Fermi resonance in solid CO2 under pressure'" [J. Chem. Phys. 140, 177101 (2014)]

scientific article published on 01 May 2014

SIESTA-SIPs: Massively parallel spectrum-slicing eigensolver for an ab initio molecular dynamics package

scientific article published on 01 August 2018

Size-extensive vibrational self-consistent field methods with anharmonic geometry corrections.

scientific article published in June 2012

The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers

scientific article published on 01 May 2018

Understanding the anharmonic vibrational structure of the carbon dioxide dimer

scientific article published on 01 April 2019

Valence : A Massively Parallel Implementation of the Variational Subspace Valence Bond Method

scientific article published on 28 March 2019

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