Jaakko Akola
About
Computational Physics: DFT and atomistic simulations of materials, nanoparticles, molecules, and interfaces
- Coordinator of the NTNU Digital Transformation project "Rational Alloy Design - AllDesign"
- Coordinator of the H2020-NMP project "CritCat" (www.critcat.eu) on computational development of new catalyst materials
- Work package leader of the KPN project "SumAl" on solute clustering in aluminum alloys (Research Council of Norway)
Our Materials Theory group performs massively-parallel simulations of materials and biomolecules at the atomistic scale using electronic structure calculations (DFT), classical molecular mechanics (MM) and Monte Carlo (MC) methods. Most recently, we have started work with machine learning concepts to enable rational design of materials which can provide an alternative theory-based approach for experimental trial-and-error methods. The general objective of our research is to study the detailed atomic structure of a system and its function. The problems involve current technological applications in the fields of materials science, chemistry, and biochemistry. Characteristic for our application-oriented projects is the strong collaboration with experimental colleagues.
The main research topics are:
- Amorphous semiconductor materials in nonvolatile memory applications, especially chalcogenide alloys (DVD-RAM, DVD-RW, Blu-ray Disc, Phase-change RAM, Conductive-bridging RAM)
- Glasses in general: Novel oxide-based materials, chalcogens, pnictides, etc.
- Noble metal nanoparticles (Au, Ag, Pt, Pd) with various coatings and environments (surface, solution and biological environment)
- H2020-NMP project CritCat: Size-selected metal clusters as replacements of the Platinum Group Metals in heterogeneous and electrocatalysis (hydrogen energy, CO2 chemistry)
- Intermetallic alloys based on aluminum; clustering, precipitate formation and hardening effects
Lectures: Classical Mechanics (TFY4345, autumn 2022) and Computationa Physics (TFY4235, spring 2023)
Publications
2022
-
Akola, Jaakko;
Konstantinou, Konstantinos;
Jones, R.O..
(2022)
Density functional simulations of a conductive bridging random access memory cell: Ag filament formation in amorphous GeS2.
PHYSICAL REVIEW MATERIALS.
volum 6 (3).
Academic article
-
Alidoust, Mohammad;
Rothmund, Erling Velten;
Akola, Jaakko.
(2022)
Machine-learned model Hamiltonian and strength of spin-orbit interaction in strained Mg<inf>2</inf>X (X = Si, Ge, Sn, Pb).
Journal of Physics: Condensed Matter.
volum 34 (36).
Academic article
-
Konstantinou, Konstantinos;
Elliott, Stephen R.;
Akola, Jaakko.
(2022)
Inherent electron and hole trapping in amorphous phase-change memory materials: Ge2Sb2Te5.
Journal of Materials Chemistry C.
volum 10 (17).
Academic article
-
Konstantinou, Konstantinos;
Mocanu, Felix C.;
Akola, Jaakko.
(2022)
Electron localization in recrystallized models of the Ge2Sb2Te5 phase-change memory material.
Physical review B (PRB).
volum 106 (18).
Academic article
-
Konstantinou, Konstantinos;
Mocanu, Felix C.;
Akola, Jaakko;
Elliott, Stephen R..
(2022)
Electric-field-induced annihilation of localized gap defect states in amorphous phase-change memory materials.
Acta Materialia.
volum 223.
Academic article
2021
-
Alidoust, Mohammad;
Isachsen, Erlend E;
Halterman, Klaus;
Akola, Jaakko.
(2021)
Comparison of optical response from DFT random phase approximation and a low-energy effective model: Strained phosphorene.
Physical review B (PRB).
volum 104 (11).
Academic article
-
Evans, Donald M.;
Holstad, Theodor Secanell;
Mosberg, Aleksander B.;
Småbråten, Didrik R.;
Vullum, Per Erik;
Dadlani, Anup;
Shapovalov, Konstantin;
Yan, Zewu;
Bourret, Edith;
Gao, David;
Akola, Jaakko;
Torgersen, Jan;
van Helvoort, Antonius T. J.;
Selbach, Sverre Magnus;
Meier, Dennis.
(2021)
Publisher Correction: Conductivity control via minimally invasive anti-Frenkel defects in a functional oxide (Nature Materials, (2020), 19, 11, (1195-1200), 10.1038/s41563-020-0765-x).
Nature Materials.
volum 20 (5).
Errata
-
Kalikka, J.;
Konstantinou, K.;
Akola, J.;
Jones, R.O..
(2021)
Melt-quenched and as-deposited structures of amorphous selenium: a density functional/ molecular dynamics comparison.
Journal of Physics: Condensed Matter.
volum 33 (44).
Academic article
-
Kleiven, David;
Akola, Jaakko;
Peterson, Andrew A.;
Vegge, Tejs;
Chang, Jin Hyun.
(2021)
Training sets based on uncertainty estimates in the cluster-expansion method.
Journal of Physics: Energy.
volum 3 (3).
Academic article
-
Kohara, Shinji;
Akola, Jaakko.
(2021)
Synchrotron X-ray Characterization of Atomic and Nanoscale Structures in Aperiodic Materials from Ambient to Extreme Conditions — Synergic Collaboration with Large-scale Computer Simulations.
2021. ISBN 9789811231520. World Scientific Series in Nanoscience and Nanotechnology (21).
Academic anthology/Conference proceedings
2020
-
Kleiven, David;
Akola, Jaakko.
(2020)
Precipitate formation in aluminium alloys: Multi-scale modelling approach.
Acta Materialia.
volum 195.
Academic article
-
Alidoust, Mohammad;
Halterman, Klaus;
Pan, Douxing;
Willatzen, Morten;
Akola, Jaakko.
(2020)
Strain-engineered widely tunable perfect absorption angle in black phosphorus from first principles.
Physical review B (PRB).
volum 102 (11).
Academic article
-
Alidoust, Mohammad;
Jauho, Anti-pekka;
Akola, Jaakko.
(2020)
Josephson effect in graphene bilayers with adjustable relative displacement.
Physical Review Research (PRResearch).
volum 2 (3).
Academic article
-
Alidoust, Mohammad;
Kleiven, David;
Akola, Jaakko.
(2020)
Density functional simulations of pressurized Mg-Zn and Al-Zn alloys.
PHYSICAL REVIEW MATERIALS.
volum 4 (4).
Academic article
-
Evans, Donald M.;
Holstad, Theodor Secanell;
Mosberg, Aleksander B.;
Småbråten, Didrik Rene;
Vullum, Per Erik;
Dadlani, Anup L.;
Shapovalov, Konstantin;
Yan, Zewu;
Bourret, Edith;
Gao, David Zhe;
Akola, Jaakko;
Torgersen, Jan;
Van Helvoort, Antonius;
Selbach, Sverre Magnus;
Meier, Dennis.
(2020)
Publisher Correction: Conductivity control via minimally invasive anti-Frenkel defects in a functional oxide (Nature Materials, (2020), 19, 11, (1195-1200), 10.1038/s41563-020-0765-x).
Nature Materials.
volum 19 (11).
Errata
-
Evans, Donald;
Holstad, Theodor Secanell;
Mosberg, Aleksander Buseth;
Småbråten, Didrik Rene;
Vullum, Per Erik;
Dadlani, Anup;
Shapovalov, Konstantin;
Yan, Zewu;
Bourret, Edith;
Gao, David Zhe;
Akola, Jaakko;
Torgersen, Jan;
Van Helvoort, Antonius;
Selbach, Sverre Magnus;
Meier, Dennis.
(2020)
Conductivity control via minimally invasive anti-Frenkel defects in a functional oxide.
Nature Materials.
volum 19.
Academic article
-
Kalikka, Janne;
Akola, J.;
Jones, R. O.;
Schober, H.R..
(2020)
Density functional and classical simulations of liquid and glassy selenium.
Physical review B (PRB).
volum 102 (10).
Academic article
-
Koyama, Chihiro;
Tahara, Shuta;
Kohara, Shinji;
Onodera, Yohei;
Småbråten, Didrik Rene;
Selbach, Sverre Magnus;
Akola, Jaakko;
Ishikawa, Takehiko;
Masuno, Atsunobu;
Mizuno, Akitoshi;
Okada, Junpei T.;
Watanabe, Yuki;
Nakata, Yui;
Ohara, Koji;
Tamaru, Haruka;
Oda, Hirohisa;
Obayashi, Ippei;
Hiraoka, Yasuyuki;
Sakata, Osami.
(2020)
Very sharp diffraction peak in nonglass-forming liquid with the formation of distorted tetraclusters.
NPG Asia Materials.
volum 12.
Academic article
-
Onodera, Yohei;
Kohara, Shinji;
Salmon, Philip S.;
Hirata, Akihiko;
Nishiyama, Norimasa;
Kitani, Suguru;
Zeidler, Anita;
Shiga, Motoki;
Masuno, Atsunobu;
Inoue, Hiroyuki;
Tahara, Shuta;
Polidori, Analisa;
Fischer, Henry E.;
Mori, Tatsuya;
Kojima, Seiji;
Kawaji, Hitoshi;
Kolesnikov, Alexander I.;
Stone, Matthew B.;
Tucker, Matthew G.;
McDonnell, Marshall T.;
Hannon, Alex C.;
Hiraoka, Yasuaki;
Obayashi, Ippei;
Nakamura, Takenobu;
Akola, Jaakko;
Fujii, Yasuhiro;
Ohara, Koji;
Taniguchi, Takashi;
Sakata, Osami.
(2020)
Structure and properties of densified silica glass: characterizing the order within disorder.
NPG Asia Materials.
volum 12.
Academic article
2019
-
Ayodele, Olumide Bolarinwa;
Cai, Rongsheng;
Wang, Jianguang;
Ziouani, Yasmine;
Liang, Zhifu;
Spadaro, Maria Chiara;
Kovnir, Kirill;
Arbiol, Jordi;
Akola, Jaakko;
Palmer, Richard E;
Kolen'ko, Yury V.
(2019)
Synergistic Computational-Experimental Discovery of Highly Selective PtCu Nanocluster Catalysts for Acetylene Semihydrogenation.
ACS Catalysis.
volum 10.
Academic article
-
Chang, Jin Hyun;
Kleiven, David;
Melander, Marko;
Akola, Jaakko;
Garcia-Lastra, Juan Maria;
Vegge, Tejs.
(2019)
CLEASE: a versatile and user-friendly implementation of cluster expansion method.
Journal of Physics: Condensed Matter.
volum 31 (32).
Academic article
-
Frankberg, Erkka J.;
Kalikka, Janne;
García Ferré, Francisco;
Joly-Pottuz, Lucile;
Salminen, Turkka;
Hintikka, Jouko;
Hokka, Mikko;
Koneti, Siddardha;
Douillard, Thierry;
Le Saint, Bérangère;
Kreiml, Patrice;
Cordill, Megan J.;
Epicier, Thierry;
Stauffer, Douglas;
Vanazzi, Matteo;
Roiban, Lucian;
Akola, Jaakko;
Di Fonzo, Fabio;
Levänen, Erkki;
Masenelli-Varlot, Karine.
(2019)
Highly ductile amorphous oxide at room temperature and high strain rate.
Science.
volum 366 (6467).
Academic article
-
Goncalves, Liliana PL;
Wang, Jianguang;
Vinati, Simone;
Barborini, Emanuele;
Wei, Xian-Kui;
Heggen, Marc;
Franco, Miguel;
Sousa, Juliana PS;
Petrovykh, Dmitri Y;
Soares, Olívia Salomé Gonçalves Pinto;
Kovnir, Kirill;
Akola, Jaakko;
Kolen'ko, Yury V.
(2019)
Combined experimental and theoretical study of acetylene semi-hydrogenation over Pd/Al2O3.
International Journal of Hydrogen Energy.
volum 45 (2).
Academic article
-
Kleiven, David;
Ødegård, Olve Lyngved;
Laasonen, Kari;
Akola, Jaakko.
(2019)
Atomistic simulations of early stage clusters in Al-Mg alloys.
Acta Materialia.
volum 166.
Academic article
-
Lolicato, Fabio;
Joly, Loic;
Martinez-Seara, Hector;
Fragneto, Giovanna;
Scoppola, Ernesto;
Baldelli Bombelli, Francesca;
Vattulainen, Ilpo;
Akola, Jaakko;
Maccarini, Marco.
(2019)
The Role of Temperature and Lipid Charge on Intake/Uptake of Cationic Gold Nanoparticles into Lipid Bilayers.
Small.
volum 15 (23).
Academic article
-
Ma, Li;
Akola, Jaakko.
(2019)
Varying oxygen coverage on Cu55 and its effect on CO oxidation.
Physical Chemistry, Chemical Physics - PCCP.
volum 21 (21).
Academic article
-
Murakami, M.;
Kohara, S;
Kitamura, N.;
Akola, Jaakko;
Inoue, H;
Hirata, A;
Hiraoka, Y;
Onodera, Y;
Obayashi, I;
Kalikka, J;
Hirao, N;
Musso, T;
Foster, Adam S;
Idemoto, Y;
Sakata, O;
Ohishi, Y.
(2019)
Ultrahigh-pressure form of SiO2 glass with dense pyrite-type crystalline homology.
Physical review B (PRB).
volum 99 (4).
Academic article
2018
-
Chevrier, Daniel M;
Raich, Lluis;
Rovira, Carme;
Das, Anindita;
Luo, Zhentao;
Yao, Qiaofeng;
Chatt, Amares;
Xie, Jianping;
Jin, Rongchao;
Akola, Jaakko;
Zhang, Peng.
(2018)
Molecular-Scale Ligand Effects in Small Gold-Thiolate Nanoclusters.
Journal of the American Chemical Society.
volum 140 (45).
Academic article
-
Honkanen, Mari;
Wang, Jianguang;
Karkkainen, Marja;
Huuhtanen, Mika;
Jiang, Hua;
Kallinen, Kauko;
Keiski, Riitta;
Akola, Jaakko;
Vippola, Minnamari.
(2018)
Regeneration of sulfur-poisoned Pd-based catalyst for natural gas oxidation.
Journal of Catalysis.
volum 358.
Academic article
2017
-
Akola, Jaakko;
Ferrando, Riccardo.
(2017)
Geometric Structure and Chemical Ordering of Large AuCu Clusters - A Computational Study.
Journal of Physical Chemistry C.
volum 121.
Academic article
-
Akola, Jaakko;
Jones, R. O..
(2017)
Speeding up crystallization.
Science.
volum 358 (6369).
Academic article
-
Jones, R. O.;
Ahlstedt, O;
Akola, Jaakko;
Ropo, M.
(2017)
Density functional study of structure and dynamics in liquid antimony and Sb_n clusters.
Journal of Chemical Physics.
volum 146 (19).
Academic article
-
Ma, Li;
Laasonen, Kari;
Akola, Jaakko.
(2017)
Catalytic Activity of AuCu Clusters on MgO(100): Effect of Alloy Composition for CO Oxidation.
Journal of Physical Chemistry C.
volum 121 (20).
Academic article
-
Palmer, Richard;
Akola, Jaakko.
(2017)
One year of Advances in Physics: X – the wonderful faculty of memory.
Advances in Physics: X.
volum 2 (1).
Editorial
-
Rojas-Cervellera, Victor;
Raich, Lluis;
Akola, Jaakko;
Rovira, Carme.
(2017)
The molecular mechanism of the ligand exchange reaction of an antibody against a glutathione-coated gold cluster.
Nanoscale.
volum 9 (9).
Academic article
-
Ropo, M.;
Akola, Jaakko;
Jones, R. O..
(2017)
Crystallization of supercooled liquid antimony: A density functional study.
Physical review B (PRB).
volum 96 (18).
Academic article
Journal publications
-
Akola, Jaakko;
Konstantinou, Konstantinos;
Jones, R.O..
(2022)
Density functional simulations of a conductive bridging random access memory cell: Ag filament formation in amorphous GeS2.
PHYSICAL REVIEW MATERIALS.
volum 6 (3).
Academic article
-
Alidoust, Mohammad;
Rothmund, Erling Velten;
Akola, Jaakko.
(2022)
Machine-learned model Hamiltonian and strength of spin-orbit interaction in strained Mg<inf>2</inf>X (X = Si, Ge, Sn, Pb).
Journal of Physics: Condensed Matter.
volum 34 (36).
Academic article
-
Konstantinou, Konstantinos;
Elliott, Stephen R.;
Akola, Jaakko.
(2022)
Inherent electron and hole trapping in amorphous phase-change memory materials: Ge2Sb2Te5.
Journal of Materials Chemistry C.
volum 10 (17).
Academic article
-
Konstantinou, Konstantinos;
Mocanu, Felix C.;
Akola, Jaakko.
(2022)
Electron localization in recrystallized models of the Ge2Sb2Te5 phase-change memory material.
Physical review B (PRB).
volum 106 (18).
Academic article
-
Konstantinou, Konstantinos;
Mocanu, Felix C.;
Akola, Jaakko;
Elliott, Stephen R..
(2022)
Electric-field-induced annihilation of localized gap defect states in amorphous phase-change memory materials.
Acta Materialia.
volum 223.
Academic article
-
Alidoust, Mohammad;
Isachsen, Erlend E;
Halterman, Klaus;
Akola, Jaakko.
(2021)
Comparison of optical response from DFT random phase approximation and a low-energy effective model: Strained phosphorene.
Physical review B (PRB).
volum 104 (11).
Academic article
-
Evans, Donald M.;
Holstad, Theodor Secanell;
Mosberg, Aleksander B.;
Småbråten, Didrik R.;
Vullum, Per Erik;
Dadlani, Anup;
Shapovalov, Konstantin;
Yan, Zewu;
Bourret, Edith;
Gao, David;
Akola, Jaakko;
Torgersen, Jan;
van Helvoort, Antonius T. J.;
Selbach, Sverre Magnus;
Meier, Dennis.
(2021)
Publisher Correction: Conductivity control via minimally invasive anti-Frenkel defects in a functional oxide (Nature Materials, (2020), 19, 11, (1195-1200), 10.1038/s41563-020-0765-x).
Nature Materials.
volum 20 (5).
Errata
-
Kalikka, J.;
Konstantinou, K.;
Akola, J.;
Jones, R.O..
(2021)
Melt-quenched and as-deposited structures of amorphous selenium: a density functional/ molecular dynamics comparison.
Journal of Physics: Condensed Matter.
volum 33 (44).
Academic article
-
Kleiven, David;
Akola, Jaakko;
Peterson, Andrew A.;
Vegge, Tejs;
Chang, Jin Hyun.
(2021)
Training sets based on uncertainty estimates in the cluster-expansion method.
Journal of Physics: Energy.
volum 3 (3).
Academic article
-
Kleiven, David;
Akola, Jaakko.
(2020)
Precipitate formation in aluminium alloys: Multi-scale modelling approach.
Acta Materialia.
volum 195.
Academic article
-
Alidoust, Mohammad;
Halterman, Klaus;
Pan, Douxing;
Willatzen, Morten;
Akola, Jaakko.
(2020)
Strain-engineered widely tunable perfect absorption angle in black phosphorus from first principles.
Physical review B (PRB).
volum 102 (11).
Academic article
-
Alidoust, Mohammad;
Jauho, Anti-pekka;
Akola, Jaakko.
(2020)
Josephson effect in graphene bilayers with adjustable relative displacement.
Physical Review Research (PRResearch).
volum 2 (3).
Academic article
-
Alidoust, Mohammad;
Kleiven, David;
Akola, Jaakko.
(2020)
Density functional simulations of pressurized Mg-Zn and Al-Zn alloys.
PHYSICAL REVIEW MATERIALS.
volum 4 (4).
Academic article
-
Evans, Donald M.;
Holstad, Theodor Secanell;
Mosberg, Aleksander B.;
Småbråten, Didrik Rene;
Vullum, Per Erik;
Dadlani, Anup L.;
Shapovalov, Konstantin;
Yan, Zewu;
Bourret, Edith;
Gao, David Zhe;
Akola, Jaakko;
Torgersen, Jan;
Van Helvoort, Antonius;
Selbach, Sverre Magnus;
Meier, Dennis.
(2020)
Publisher Correction: Conductivity control via minimally invasive anti-Frenkel defects in a functional oxide (Nature Materials, (2020), 19, 11, (1195-1200), 10.1038/s41563-020-0765-x).
Nature Materials.
volum 19 (11).
Errata
-
Evans, Donald;
Holstad, Theodor Secanell;
Mosberg, Aleksander Buseth;
Småbråten, Didrik Rene;
Vullum, Per Erik;
Dadlani, Anup;
Shapovalov, Konstantin;
Yan, Zewu;
Bourret, Edith;
Gao, David Zhe;
Akola, Jaakko;
Torgersen, Jan;
Van Helvoort, Antonius;
Selbach, Sverre Magnus;
Meier, Dennis.
(2020)
Conductivity control via minimally invasive anti-Frenkel defects in a functional oxide.
Nature Materials.
volum 19.
Academic article
-
Kalikka, Janne;
Akola, J.;
Jones, R. O.;
Schober, H.R..
(2020)
Density functional and classical simulations of liquid and glassy selenium.
Physical review B (PRB).
volum 102 (10).
Academic article
-
Koyama, Chihiro;
Tahara, Shuta;
Kohara, Shinji;
Onodera, Yohei;
Småbråten, Didrik Rene;
Selbach, Sverre Magnus;
Akola, Jaakko;
Ishikawa, Takehiko;
Masuno, Atsunobu;
Mizuno, Akitoshi;
Okada, Junpei T.;
Watanabe, Yuki;
Nakata, Yui;
Ohara, Koji;
Tamaru, Haruka;
Oda, Hirohisa;
Obayashi, Ippei;
Hiraoka, Yasuyuki;
Sakata, Osami.
(2020)
Very sharp diffraction peak in nonglass-forming liquid with the formation of distorted tetraclusters.
NPG Asia Materials.
volum 12.
Academic article
-
Onodera, Yohei;
Kohara, Shinji;
Salmon, Philip S.;
Hirata, Akihiko;
Nishiyama, Norimasa;
Kitani, Suguru;
Zeidler, Anita;
Shiga, Motoki;
Masuno, Atsunobu;
Inoue, Hiroyuki;
Tahara, Shuta;
Polidori, Analisa;
Fischer, Henry E.;
Mori, Tatsuya;
Kojima, Seiji;
Kawaji, Hitoshi;
Kolesnikov, Alexander I.;
Stone, Matthew B.;
Tucker, Matthew G.;
McDonnell, Marshall T.;
Hannon, Alex C.;
Hiraoka, Yasuaki;
Obayashi, Ippei;
Nakamura, Takenobu;
Akola, Jaakko;
Fujii, Yasuhiro;
Ohara, Koji;
Taniguchi, Takashi;
Sakata, Osami.
(2020)
Structure and properties of densified silica glass: characterizing the order within disorder.
NPG Asia Materials.
volum 12.
Academic article
-
Ayodele, Olumide Bolarinwa;
Cai, Rongsheng;
Wang, Jianguang;
Ziouani, Yasmine;
Liang, Zhifu;
Spadaro, Maria Chiara;
Kovnir, Kirill;
Arbiol, Jordi;
Akola, Jaakko;
Palmer, Richard E;
Kolen'ko, Yury V.
(2019)
Synergistic Computational-Experimental Discovery of Highly Selective PtCu Nanocluster Catalysts for Acetylene Semihydrogenation.
ACS Catalysis.
volum 10.
Academic article
-
Chang, Jin Hyun;
Kleiven, David;
Melander, Marko;
Akola, Jaakko;
Garcia-Lastra, Juan Maria;
Vegge, Tejs.
(2019)
CLEASE: a versatile and user-friendly implementation of cluster expansion method.
Journal of Physics: Condensed Matter.
volum 31 (32).
Academic article
-
Frankberg, Erkka J.;
Kalikka, Janne;
García Ferré, Francisco;
Joly-Pottuz, Lucile;
Salminen, Turkka;
Hintikka, Jouko;
Hokka, Mikko;
Koneti, Siddardha;
Douillard, Thierry;
Le Saint, Bérangère;
Kreiml, Patrice;
Cordill, Megan J.;
Epicier, Thierry;
Stauffer, Douglas;
Vanazzi, Matteo;
Roiban, Lucian;
Akola, Jaakko;
Di Fonzo, Fabio;
Levänen, Erkki;
Masenelli-Varlot, Karine.
(2019)
Highly ductile amorphous oxide at room temperature and high strain rate.
Science.
volum 366 (6467).
Academic article
-
Goncalves, Liliana PL;
Wang, Jianguang;
Vinati, Simone;
Barborini, Emanuele;
Wei, Xian-Kui;
Heggen, Marc;
Franco, Miguel;
Sousa, Juliana PS;
Petrovykh, Dmitri Y;
Soares, Olívia Salomé Gonçalves Pinto;
Kovnir, Kirill;
Akola, Jaakko;
Kolen'ko, Yury V.
(2019)
Combined experimental and theoretical study of acetylene semi-hydrogenation over Pd/Al2O3.
International Journal of Hydrogen Energy.
volum 45 (2).
Academic article
-
Kleiven, David;
Ødegård, Olve Lyngved;
Laasonen, Kari;
Akola, Jaakko.
(2019)
Atomistic simulations of early stage clusters in Al-Mg alloys.
Acta Materialia.
volum 166.
Academic article
-
Lolicato, Fabio;
Joly, Loic;
Martinez-Seara, Hector;
Fragneto, Giovanna;
Scoppola, Ernesto;
Baldelli Bombelli, Francesca;
Vattulainen, Ilpo;
Akola, Jaakko;
Maccarini, Marco.
(2019)
The Role of Temperature and Lipid Charge on Intake/Uptake of Cationic Gold Nanoparticles into Lipid Bilayers.
Small.
volum 15 (23).
Academic article
-
Ma, Li;
Akola, Jaakko.
(2019)
Varying oxygen coverage on Cu55 and its effect on CO oxidation.
Physical Chemistry, Chemical Physics - PCCP.
volum 21 (21).
Academic article
-
Murakami, M.;
Kohara, S;
Kitamura, N.;
Akola, Jaakko;
Inoue, H;
Hirata, A;
Hiraoka, Y;
Onodera, Y;
Obayashi, I;
Kalikka, J;
Hirao, N;
Musso, T;
Foster, Adam S;
Idemoto, Y;
Sakata, O;
Ohishi, Y.
(2019)
Ultrahigh-pressure form of SiO2 glass with dense pyrite-type crystalline homology.
Physical review B (PRB).
volum 99 (4).
Academic article
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Chevrier, Daniel M;
Raich, Lluis;
Rovira, Carme;
Das, Anindita;
Luo, Zhentao;
Yao, Qiaofeng;
Chatt, Amares;
Xie, Jianping;
Jin, Rongchao;
Akola, Jaakko;
Zhang, Peng.
(2018)
Molecular-Scale Ligand Effects in Small Gold-Thiolate Nanoclusters.
Journal of the American Chemical Society.
volum 140 (45).
Academic article
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Honkanen, Mari;
Wang, Jianguang;
Karkkainen, Marja;
Huuhtanen, Mika;
Jiang, Hua;
Kallinen, Kauko;
Keiski, Riitta;
Akola, Jaakko;
Vippola, Minnamari.
(2018)
Regeneration of sulfur-poisoned Pd-based catalyst for natural gas oxidation.
Journal of Catalysis.
volum 358.
Academic article
-
Akola, Jaakko;
Ferrando, Riccardo.
(2017)
Geometric Structure and Chemical Ordering of Large AuCu Clusters - A Computational Study.
Journal of Physical Chemistry C.
volum 121.
Academic article
-
Akola, Jaakko;
Jones, R. O..
(2017)
Speeding up crystallization.
Science.
volum 358 (6369).
Academic article
-
Jones, R. O.;
Ahlstedt, O;
Akola, Jaakko;
Ropo, M.
(2017)
Density functional study of structure and dynamics in liquid antimony and Sb_n clusters.
Journal of Chemical Physics.
volum 146 (19).
Academic article
-
Ma, Li;
Laasonen, Kari;
Akola, Jaakko.
(2017)
Catalytic Activity of AuCu Clusters on MgO(100): Effect of Alloy Composition for CO Oxidation.
Journal of Physical Chemistry C.
volum 121 (20).
Academic article
-
Palmer, Richard;
Akola, Jaakko.
(2017)
One year of Advances in Physics: X – the wonderful faculty of memory.
Advances in Physics: X.
volum 2 (1).
Editorial
-
Rojas-Cervellera, Victor;
Raich, Lluis;
Akola, Jaakko;
Rovira, Carme.
(2017)
The molecular mechanism of the ligand exchange reaction of an antibody against a glutathione-coated gold cluster.
Nanoscale.
volum 9 (9).
Academic article
-
Ropo, M.;
Akola, Jaakko;
Jones, R. O..
(2017)
Crystallization of supercooled liquid antimony: A density functional study.
Physical review B (PRB).
volum 96 (18).
Academic article
Books
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Kohara, Shinji;
Akola, Jaakko.
(2021)
Synchrotron X-ray Characterization of Atomic and Nanoscale Structures in Aperiodic Materials from Ambient to Extreme Conditions — Synergic Collaboration with Large-scale Computer Simulations.
2021. ISBN 9789811231520. World Scientific Series in Nanoscience and Nanotechnology (21).
Academic anthology/Conference proceedings
Teaching
Courses
Media
2022
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Academic lectureFriis, Jesper; Akola, Jaakko. (2022) Ontology aspects in data management. Digital Transformations Workshop . NTNU; 2022-05-19.