ComputEEL/MatSci

Lu-H-N, Nature Communications

Nat Commun 14, 5367 (2023)

NiTiTe2 band structure

SSC 283 (2018) 27

Nodeless time-reversal symmetry breaking in Sc5Co4Si10

PRM 6, 064802 (2022)

NiTe2 Dirac cone tunability

PRB 103, 125134 (2021)

σsc(T) data in field-cooling mode with fits using various gap models in HfV2Ga4

PRR 2 (2020) 022001(R)

Liquid Bi–Pb and Bi–Li alloys: Mining thermodynamic properties from ab-initio molecular dynamics calculations using thermodynamic models

Calphad 67 (2019) 101687

Formation enthalpies in Zn-RE systems

Calphad 67 (2019) 101676

ZrV2Ga4 Young modulus

Materialia 4 (2018) 529

HfV2Ga3 electronic density in (001) planes

PRB 98 (2018) 045126

Ni-In phase diagram

Calphad 62 (2018) 42

News

news

22 September 2023: Our Nature Communications

20 March 2022: New group photo

18 September 2020: P. P. Ferreira, the newest MSci. at Computeel

13 January 2020: Workshop Total Energy and Force Methods 2020

27 November 2019: P. P. Ferreira MSci. qualifying exam

19 September 2019: New Master of Science in the group

19 August 2019: 2nd Meeting - Technological Frontiers in Engineering

28 May 2019: EOSBF2019

22 March 2019: A. Manesco's PhD qualifying exam

02 March 2019: The ComputEEL/MatSci logo

28 February 2019: New group photo

23 February 2019: News from WorkNano 2019

19 February 2019: Talk at WorkNano 2019

16 January 2019: The ComputEEL/MatSci computational group