Author

Natalia Bedoya‐Martínez

Observed names: Bedoya Martinez, Natalia, Bedoya-Martinez, Olga Natalia, Bedoya-Martínez, Natalia, Bedoya-Martínez, O. N., N. Bedoya-Martínez, N. Bedoya‐Martínez, Natalia Bedoya, Natalia Bedoya-Martinez, Natalia Bedoya-Martínez, Natalia Bedoya-Martínez, Natalia Bedoya-Martı́nez, O N Bedoya-Martínez, O. N. Bedoya-Martínez, O. N. Bedoya‐Martínez, Olga Natalia Bedoya Martínez, Olga Natalia Bedoya-Martínez

Institution: Materials Center Leoben (Austria)

Observed institutions: Universitat Autònoma de Barcelona, Centre National de la Recherche Scientifique, Consejo Superior de Investigaciones Científicas, Chinese Academy of Sciences, Commissariat à l'Énergie Atomique et aux Énergies Alternatives, CEA Paris-Saclay - Etablissement de Saclay, Graz University of Technology, Laboratoire Interdisciplinaire de Physique, Institute of Metal Research, Direction des Energies, CEA Paris-Saclay, Fraunhofer Institute for Mechanics of Materials, Institut de Ciència de Materials de Barcelona, Materials Center Leoben (Austria), Shenyang National Laboratory for Materials Science

ORCID: 0000-0001-9824-6129

Observed ORCID: 0000-0001-9824-6129

OpenAlex ID: A5035216586

Phase Diagram of Silicon from Atomistic Simulations

2005 · M. Kaczmarski, O. N. Bedoya-Martínez, et al. · Physical Review Letters · 69

PDF

Computation of the thermal conductivity using methods based on classical and quantum molecular dynamics

2014 · O. N. Bedoya-Martínez, Jean-Louis Barrat, et al. · Physical Review B · 62

PDF

DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting

2017 · Natalia Bedoya-Martínez, Benedikt Schrode, et al. · The Journal of Physical Chemistry Letters · 59

Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene

2020 · Tomas Kamencek, Sandro Wieser, et al. · Journal of Chemical Theory and Computation · 41

PDF

Toward a Reliable Description of the Lattice Vibrations in Organic Molecular Crystals: The Impact of van der Waals Interactions

2018 · Natalia Bedoya-Martínez, Andrea Giunchi, et al. · Journal of Chemical Theory and Computation · 40

Understanding phonon properties in isoreticular metal-organic frameworks from first principles

2019 · Tomas Kamencek, Natalia Bedoya-Martínez, et al. · Physical Review Materials · 31

PDF

Structural, Spectroscopic, and Computational Characterization of the Concomitant Polymorphs of the Natural Semiconductor Indigo

2018 · T. Salzillo, S. d’Agostino, et al. · The Journal of Physical Chemistry C · 31

Identifying the Bottleneck for Heat Transport in Metal–Organic Frameworks

2020 · Sandro Wieser, Tomas Kamencek, et al. · Advanced Theory and Simulations · 30

PDF

Indexing of grazing-incidence X-ray diffraction patterns: the case of fibre-textured thin films

2018 · Josef Simbrunner, Clemens Simbrunner, et al. · Acta Crystallographica Section A Foundations and Advances · 28

PDF

Activation entropies for diffusion in cubic silicon carbide from first principles

2010 · O. N. Bedoya-Martínez, Guido Roma · Physical Review B · 28

From thermoelectric bulk to nanomaterials: Current progress for Bi 2 Te 3 and CoSb 3

2015 · N. Peranio, O. Eibl, et al. · physica status solidi (a) · 26

PDF

An Alternative Strategy to Polymorph Recognition at Work: The Emblematic Case of Coronene

2018 · Tommaso Salzillo, Andrea Giunchi, et al. · Crystal Growth & Design · 24

Influence of point defects on the phonon thermal conductivity and phonon density of states of Bi2Te3

2015 · O. N. Bedoya‐Martínez, A. Hashibon, et al. · physica status solidi (a) · 18

Solution of an elusive pigment crystal structure from a thin film: a combined X-ray diffraction and computational study

2017 · Andrew O. F. Jones, Christian Röthel, et al. · CrystEngComm · 16

PDF

Melting temperature of fcc metals using empirical potentials

2006 · O N Bedoya-Martínez, M Kaczmarski, et al. · Journal of Physics Condensed Matter · 13

PDF

The worm-LBM, an algorithm for a high number of propagation directions on a lattice Boltzmann grid: The case of phonon transport

2021 · René Hammer, Verena Fritz, et al. · International Journal of Heat and Mass Transfer · 12

PDF

Surface Induced Phenytoin Polymorph. 1. Full Structure Solution by Combining Grazing Incidence X-ray Diffraction and Crystal Structure Prediction

2019 · Doris E. Braun, Arianna Rivalta, et al. · Crystal Growth & Design · 12

Formation and Migration Energy of Native Defects in Silicon Carbide from First Principles: An Overview

2012 · Guido Roma, Fabien Bruneval, et al. · Defect and diffusion forum/Diffusion and defect data, solid state data. Part A, Defect and diffusion forum · 11

Exploring the Impact of the Linker Length on Heat Transport in Metal–Organic Frameworks

2022 · Sandro Wieser, Tomas Kamencek, et al. · Nanomaterials · 10

PDF

Substrate‐Induced Phase of a Benzothiophene Derivative Detected by Mid‐Infrared and Lattice Phonon Raman Spectroscopy

2018 · Benedikt Schrode, Andrew O. F. Jones, et al. · ChemPhysChem · 9

Stoichiometric Defects in Silicon Carbide

2010 · Ting Liao, Olga Natalia Bedoya-Martínez, et al. · The Journal of Physical Chemistry C · 8

Surface Induced Phenytoin Polymorph. 2. Structure Validation by Comparing Experimental and Density Functional Theory Raman Spectra

2019 · Andrea Giunchi, Arianna Rivalta, et al. · Crystal Growth & Design · 7

PDF

Regularly Curved Carbon Nanotubes

2005 · L. P. Biró, G. I. Márk, et al. · Fullerenes Nanotubes and Carbon Nanostructures · 4