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

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

3

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

4

Journal Article

Bonding in phase change materials: concepts and misconceptions

Jones, Robert O.
2018

Journal of physics / Condensed matter, 30 (2018) 15, S. 153001

5

Journal Article

Speeding up crystallization

Akola, Jaakko
2017

Science, 358 (2017) 6369, S. 1386 - 1386

6

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

7

Journal Article

pyMolDyn: Identification, structure, and properties of cavities/vacancies in condensed matter and molecules

Heimbach, Ingo
2017

Journal of computational chemistry, 38 (2017) 6, S. 389 - 394

8

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

9

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

10

Journal Article

Collective excitations and viscosity in liquid Bi

Ropo, Matti
2016

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

OpenAccess

11

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

12

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

13

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

14

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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