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27 April 2024
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Results
1
to
17
of
17
for query "
Georg K. H. Madsen
". (0.00 sec.)
1.
A Differentiable Neural-Network Force Field for Ionic Liquids
Hadrián Montes-Campos
;
Jesús Carrete
;
Luis M. Varela
;
Georg K. H. Madsen
;
30 Jun 2021
2.
Evolutionary computing and machine learning for the discovering of low-energy defect configurations
Marco Arrigoni
;
Georg K. H. Madsen
;
13 Nov 2020
3.
Machine-learning prediction of infrared spectra of interstellar polycyclic aromatic hydrocarbons
Peter Kovacs
;
Xiaosi Zhu
;
Jesus Carrete
;
Georg K. H. Madsen
;
Zhao Wang
;
19 Oct 2020
4.
Low thermal conductivities and excellent thermoelectric performances of the pyrite-type IIB-VIA2 dichalcogenides: ZnS2, CdS2 and CdSe2
Tiantian Jia
;
Jesus Carrete
;
Yongsheng Zhang
;
Georg K.H. Madsen
;
12 May 2020
5.
Shortcomings of meta-GGA functionals when describing magnetism
Fabien Tran
;
Guillaume Baudesson
;
Jesús Carrete
;
Georg K. H. Madsen
;
Peter Blaha
;
Karlheinz Schwarz
;
David J. Singh
;
9 Apr 2020
6.
A comparative first-principles investigation on the defect chemistry of TiO$_2$ anatase
Marco Arrigoni
;
Georg K. H. Madsen
;
16 Dec 2019
7.
Combined treatment of phonon scattering by electrons and point defects explains the thermal conductivity reduction in highly-doped Si
Bonny Dongre
;
Jesús Carrete
;
Shihao Wen
;
Jinlong Ma
;
Wu Li
;
Natalio Mingo
;
Georg K. H. Madsen
;
1 Oct 2019
8.
Comparing the performance of LDA and GGA functionals in predicting the lattice thermal conductivity of semiconductor materials: the case of AlAs
Marco Arrigoni
;
Georg K. H. Madsen
;
15 Nov 2018
9.
Phonon transport unveils the prevalent point defects in GaN
Ankita Katre
;
Jesús Carrete
;
Tao Wang
;
Georg K. H. Madsen
;
Natalio Mingo
;
21 Dec 2017
10.
almaBTE: a solver of the space-time dependent Boltzmann transport equation for phonons in structured materials
Jesús Carrete
;
Bjorn Vermeersch
;
Ankita Katre
;
Ambroise van Roekeghem
;
Tao Wang
;
Georg K. H. Madsen
;
Natalio Mingo
;
13 Apr 2017
11.
Comparison of the Green-Kubo and homogeneous non-equilibrium molecular dynamics methods for calculating thermal conductivity
Bonny Dongre
;
Tao Wang
;
Georg K. H. Madsen
;
16 Mar 2017
12.
Exceptionally strong phonon scattering by B substitution in cubic SiC
Ankita Katre
;
Jesús Carrete
;
Bonny Dongre
;
Georg K. H. Madsen
;
Natalio Mingo
;
15 Mar 2017
13.
High-throughput exploration of alloying as design strategy for thermoelectrics
Sandip Bhattacharya
;
Georg K.H. Madsen
;
14 Aug 2015
14.
Optimized Orthogonal Basis Tight Binding. Application to Iron
Georg K. H. Madsen
;
Eunan J. McEniry
;
Ralf Drautz
;
19 Apr 2011
15.
On the functional form of the generalized gradient approximation for exch ange. The PBE$n$ functional
Georg K. H. Madsen
;
15 Sep 2006
16.
Electronic structure and transport in CsBi$_4$Te$_6$
Lars Lykke
;
Bo B. Iversen
;
Georg K. H. Madsen
;
PostScript
;
PDF
;
Other formats
;
12 Apr 2006
17.
BoltzTraP. A code for calculating band-structure dependent quantities
Georg K. H. Madsen
;
David J. Singh
;
PostScript
;
PDF
;
Other formats
;
8 Feb 2006
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