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1

Density functional simulations of a conductive bridging random access memory cell: Ag filament formation in amorphous GeS 2

Akola, Jaakko
2022

Physical review materials, 6 (2022) 3, S. 035001

OpenAccess OpenAccess

2

Journal Article

Melt-quenched and as-deposited structures of amorphous selenium: a density functional/ molecular dynamics comparison

Kalikka, J.
2021

Journal of physics / Condensed matter, 33 (2021) 44, S. 445401

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

Combined experimental and theoretical study of acetylene semi-hydrogenation over Pd/Al2O3

Gonçalves, Liliana P. L.
2020

International journal of hydrogen energy, 45 (2020) 2, S. 1283 - 1296

Published on 2019-05-09. Available in OpenAccess from 2020-05-09. Published on 2019-05-09. Available in OpenAccess from 2020-05-09.

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

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

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

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

Atomistic simulations of anionic Au144(SR)60 nanoparticles interacting with asymmetric model lipid membranes

Heikkilä, Elena
2014

Biochimica et biophysica acta / Biomembranes, 1838 (2014) 11, S. 2852 - 2860

11

Journal Article

Atomic and electronic structures of an extremely fragile liquid

Kohara, Shinji
2014

Nature Communications, 5 (2014) S. 5892

OpenAccess OpenAccess

12

Journal Article

Cationic Au Nanoparticle Binding with Plasma Membrane-like Lipid Bilayers: Potential Mechanism for Spontaneous Permeation to Cells Revealed by Atomistic Simulations

Heikkilä, Elena
2014

The @journal of physical chemistry / C, 118 (2014) 20, S. 11131 - 11141

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

Conference Presentation

Nanosecond density functional simulations of crystallization in Ge2Sb_2Te_5

Jones, R. O.
2013

15

Journal Article

Density functional study of Cu$^{2+}$-phenylalanine complex under micro-solvation environment

Ganesan, Aravindhan
2013

Journal of molecular graphics and modelling, 45 (2013) S. 180 - 191

16

Journal Article

Improving the Adsorption of Au Atoms and Nanoparticles on Graphite via Li Intercalation

Logsdail, Andrew J.
2013

The @journal of physical chemistry / C, 117 (2013) 44, S. 22683 - 22695

17

Journal Article

Network topology for the formation of solvated electrons in binary CaO-Al$_{2}$O$_{3}$ composition glasses

Akola, J.
2013

Proceedings of the National Academy of Sciences of the United States of America, 110 (2013) 25, S. 10129 - 10134

18

Journal Article

Density functional simulations of structure and polymorphism in Ga/Sb films

Kalikka, J
2013

Journal of physics / Condensed matter, 25 (2013) 11, S. 115801 -

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