JuLib | Articles & more

1

Journal Article

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Teale, Andrew M.
2022

Physical chemistry, chemical physics, 24 (2022) 47, S. 28700-28781

OpenAccess

2

Journal Article

Phase change memory materials: Rationalizing the dominance of Ge/Sb/Te alloys

Jones, Robert O.
2020

Physical Review B Physical review / B, 101 101 (2020 2020) 2 2, S. 024103 024103

OpenAccess OpenAccess OpenAccess OpenAccess

3

Journal Article

Density functional and classical simulations of liquid and glassy selenium

Kalikka, J.
2020

Physical Review B Physical review / B, 102 102 (2020 2020) 10 10, S. 104202 104202

OpenAccess OpenAccess

4

Journal Article

Density functional study of structure and dynamics in liquid antimony and Sb n clusters

Jones, Robert O.
2017

The journal of chemical physics, 146 (2017) 19, S. 194502

OpenAccess

5

Journal Article

Crystallization of supercooled liquid antimony: A density functional study

Ropo, M.
2017

Physical Review B Physical review / B, 96 96 (2017 2017) 18 18, S. 184102 184102

OpenAccess OpenAccess

6

Journal Article

Tuning electronic properties of graphene heterostructures by amorphous-to-crystalline phase transitions

Kulju, S.
2016

Physical Review B Physical review / B, 93 93 (2016 2016) 19 19, S. 195443 195443

OpenAccess OpenAccess

7

Journal Article

Crystallization processes in the phase change material Ge$_{2}$Sb$_{2}$Te$_{5}$: Unbiased density functional/molecular dynamics simulations

Kalikka, J.
2016

Physical Review B Physical review / B, 94 94 (2016 2016) 13 13, S. 134105 134105

OpenAccess OpenAccess

8

Journal Article

Collective excitations and viscosity in liquid Bi

Ropo, Matti
2016

The journal of chemical physics, 145 (2016) 18, S. 184502

OpenAccess

9

Journal Article

Density functional theory: Its origins, rise to prominence, and future

Jones, Robert O.
2015

Reviews of modern physics, 87 (2015) 3, S. 897 - 923

OpenAccess

10

Journal Article

Structure, electronic, and vibrational properties of amorphous AsS2 and AgAsS2: Experimentally constrained density functional study

Akola, J.
2014

Physical Review B Physical review / B, 89 89 (2014 2014) 6 6, S. 064202 064202

OpenAccess

11

Journal Article

Structure and dynamics in liquid bismuth and Bin clusters: A density functional study

Akola, J.
2014

The @journal of chemical physics, 141 (2014) 19, S. 194503

OpenAccess

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