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Showing results 1-50 of 102
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2024
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1. |
Jenkins, Trevor; Chakraborty, Debajit; Berland, Kristian; Thonhauser, Timo. Reduced-gradient analysis of molecular adsorption on graphene with nonlocal density functionals. Physical Review B. Condensed Matter and Materials Physics 2024 ;Volume 109.(3) NMBU
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2023
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2. |
Berland, Kristian; Seyedraoufi, Seyedmojtaba; Day, Graeme M.. Designing new organic proton-transfer ferroelectrics using crystal structure prediction. CECAM workshop on "Crystal structure prediction in materials discovery"; 2023-06-10 - 2023-06-12 NMBU
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3. |
Li, Yang; Corkery, Robert; Carretero-Palacios, Sol; Berland, Kristian; Esteso, Victoria; Fiedler, Johannes; Milton, Kimball A.; Brevik, Iver Håkon; Boström, Mathias. Origin of anomalously stabilizing ice layers on methane gas hydrates near rock surface. Physical Chemistry, Chemical Physics - PCCP 2023 ;Volume 25. p. 6636-6652 UiB NMBU UiO NTNU
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Seyedraoufi, Seyedmojtaba; Day, Graeme M.; Berland, Kristian. Engineering new organic proton-transfer acid-base (anti-)ferroelectric cocrystals using crystal structure prediction. European Conference on Computational & Theoretical Chemistry; 2023-08-27 - 2023-08-31 NMBU
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5. |
Sødahl, Elin Dypvik; Carrete, Jesús; Madsen, Georg; Berland, Kristian. Molecular Rotations in Plastic Crystals: a Machine-Learned Force-Fields Study. EuChemS CompChem 2023; 2023-08-27 - 2023-08-31 NMBU
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6. |
Sødahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba; Gørbitz, Carl Henrik; Berland, Kristian. Ferroelectric Crystals of Globular Molecules: Cambridge Structural Database Mining and Computational Assessment. Crystal Growth & Design 2023 ;Volume 23.(12) p. 8607-8619 NMBU UiO
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7. |
Sødahl, Elin Dypvik; Walker, Julian; Berland, Kristian. Piezoelectric Response of Plastic Ionic Molecular Crystals: Role of Molecular Rotation. Crystal Growth & Design 2023 ;Volume 23.(2) p. 729-740 NTNU NMBU
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8. |
Tranås, Rasmus André; Løvvik, Ole Martin; Berland, Kristian. Screening of low lattice thermal conductivity materials using active learning. Actively Learning Materials Science; 2023-03-01 - 2023-03-03 SINTEF NMBU UiO
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2022
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9. |
Fiedler, Johannes; Berland, Kristian; Buhmann, Stefan Yoshi. Purcell-induced suppression of superradiance for molecular overlayers on noble atom surfaces. Journal of Chemical Physics 2022 ;Volume 157.(19) p. 1-15 NMBU UiB
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10. |
Berland, Kristian; Sødahl, Elin Dypvik; Tranås, Rasmus André. Thermal transport & phase-change properties from first-principles made feasible with machine learning. SINTEF Thermal Energy Storage Workshop; 2022-11-10 - 2022-11-10 NMBU
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11. |
Fiedler, Johannes; Berland, Kristian; Borchert, James; Corkery, Robert; Eisfeld, Alexander; Gelbwaser-Klimovsky, David; Greve, Martin Møller; Holst, Bodil; Jacobs, Karin; Kruger, Matthias; Parsons, Drew F.; Persson, Clas; Presselt, Martin; Reisinger, Thomas; Scheel, Stefan; Stienkemeier, Frank; Tømterud, Martin; Walter, Michael; Weitz, Ralf Thomas; Zalieckas, Justas. Perspectives on weak interactions in complex materials at different length scales. Physical Chemistry, Chemical Physics - PCCP 2022 ;Volume 25. p. 2671-2705 UiB UiO NMBU
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12. |
Løvvik, Ole Martin; Schrade, Matthias; Grimenes, Øven Andreas; Tranås, Rasmus André; Berland, Kristian. Predictive screening for thermoelectric properties using atomic-scale simulations and machine learning tools. Invited online talk at The Leibniz Institute for Solid State and Materials Research (IWF), Dresden, Germany; 2022-05-03 - 2022-05-03 SINTEF UiO NMBU
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13. |
Seyedraoufi, Seyedmojtaba; Berland, Kristian. Improved proton-transfer barriers with van der Waals density functionals: Role of repulsive non-local correlation. Journal of Chemical Physics 2022 ;Volume 156.(24) NMBU
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14. |
Seyedraoufi, Seyedmojtaba; Sødahl, Elin Dypvik; Berland, Kristian; Gørbitz, Carl Henrik. Database mining and first-principles assessment of organic proton-transfer molecular ferroelectrics. the 33rd edition of the European Crystallographic Meeting; 2022-08-23 - 2022-08-27 NMBU UiO
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15. |
Sødahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba; Görbitz, Carl Henrik; Berland, Kristian. Molecular ferroelectric crystals: Discovering new sustainable ferroelectrics. Friday Talk; 2022-05-13 NMBU UiO
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16. |
Sødahl, Elin Dypvik; Walker, Julian; Berland, Kristian. Piezoelectric Response of Plastic Ionic Molecular Crystals: Role of Molecular Rotation. 33rd European Crytallographic Meeting; 2022-08-24 NMBU NTNU
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17. |
Sødahl, Elin Dypvik; Walker, Julian; Berland, Kristian. Piezoelectric Response of Plastic Ionic Molecular Crystals: Role of Molecular Rotation. ChemRxiv 2022 NMBU NTNU
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18. |
Sødahl, Elin Dypvik; Walker, Julian; Berland, Kristian. Rotationally-driven piezoelectricity for energy harvesting: Computational study of plastic ionic molecular crystals. European Materials Research Society Fall Meeting; 2022-09-19 NMBU NTNU
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19. |
Sødahl, Elin Dypvik; Walker, Julian Bradley; Seyedraoufi, Seyedmojtaba; Görbitz, Carl Henrik; Berland, Kristian. Ferroelectric molecular crystals – Discovering and modeling of unknown properties in known materials. 10th NKS-FUM meeting; 2022-02-13 NMBU NTNU UiO
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20. |
Sødahl, Elin Dypvik; Walker, Julian; Tranås, Rasmus André; Berland, Kristian. Molecular Ferroelectric Crystals. Oral presentation at TU Wien; 2022-05-05 NMBU NTNU
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21. |
Tranås, Rasmus André; Berland, Kristian; Tomic, Oliver; Løvvik, Ole Martin. Discovering Energy Materials: Low Thermal Conductivity Thermoelectric Compounds and Barocaloric Compounds. Oral presentation at TU Wien, Theoretical Materials Chemistry; 2022-03-27 - 2022-03-27 UiO NMBU
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22. |
Tranås, Rasmus André; Løvvik, Ole Martin; Berland, Kristian. Alloying leads to drastic reduction of lattice thermal conductivity of half-Heusler compounds. EMRS Spring Meeting 2022; 2022-05-30 - 2022-06-03 NMBU UiO
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23. |
Tranås, Rasmus André; Løvvik, Ole Martin; Berland, Kristian. Attaining Low Lattice Thermal Conductivity in Half-Heusler Sublattice Solid Solutions: Which Substitution Site Is Most Effective?. Electronic Materials 2022 ;Volume 3.(1) p. 1-14 UiO SINTEF NMBU
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24. |
Tranås, Rasmus André; Løvvik, Ole Martin; Berland, Kristian. Finding Low Lattice Thermal Conductivity Compounds in Materials Space: Machine Learning with Active Sampling. ECT 2022; 2022-09-14 - 2022-09-16 NMBU UiO
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25. |
Tranås, Rasmus André; Løvvik, Ole Martin; Berland, Kristian. Material Informatics: Machine Learning with Active Sampling for Small Training Sets. The Nordic AI Young Researcher Symposium; 2022-11-14 - 2022-11-15 NMBU UiO
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2021
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26. |
Berland, Kristian; Chakraborty, Debajit; Jenkins, Trevor; Thonhauser, Timo. Next generation nonlocal van der waals functionals. eSSENCE-EMMC e-Meeting 2021; 2021-06-07 - 2021-06-08 NMBU
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27. |
Berland, Kristian; Løvvik, Ole Martin; Tranås, Rasmus André. Discarded gems: Thermoelectric performance of materials with band gap emerging at the hybrid-functional level. Applied Physics Letters 2021 ;Volume 119.(8) p. - UiO NMBU SINTEF
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28. |
Jenkins, Trevor; Berland, Kristian; Thonhauser, T.. Reduced-gradient analysis of van der Waals complexes. Electronic Structure 2021 ;Volume 3.(3) p. - NMBU
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29. |
Sødahl, Elin Dypvik; Görbitz, Carl Henrik; Berland, Kristian. Mining the Cambridge Structural Database for substituted structures to guide rational design of organic molecular crystals. 6th European Crystallographic School; 2021-07-04 NMBU UiO
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30. |
Tranås, Rasmus André; Berland, Kristian; Løvvik, Ole Martin; Tomic, Oliver. Fingerprints of low lattice thermal conductivity compounds: half-Heusler case study and beyond. APS March Meeting 2021; 2021-03-15 - 2021-03-19 NMBU UiO
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31. |
Tranås, Rasmus André; Løvvik, Ole Martin; Tomic, Oliver; Berland, Kristian. Active sample selection for finding low lattice thermal conductivity materials using machine learning. Multiscale Modelling of Materials and Molecules 2021; 2021-06-07 - 2021-06-08 NMBU UiO
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32. |
Tranås, Rasmus André; Løvvik, Ole Martin; Tomic, Oliver; Berland, Kristian. Lattice thermal conductivity of half-Heuslers with density functional theory and machine learning: Enhancing predictivity by active sampling with principal component analysis. Computational Materials Science 2021 ;Volume 202. p. - SINTEF UiO NMBU
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2020
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33. |
Gunnæs, Anette Eleonora; Tofan, Raluca; Berland, Kristian; Gorantla, Sandeep Madhukar; Storaas, Thomas Aarflot; Desissa, Temesgen Debelo; Schrade, Matthias; Persson, Clas; Einarsrud, Mari-Ann; Wiik, Kjell; Norby, Truls Eivind; Kanas, Nikola. Chemical stability of Ca3Co4−xO9+δ/CaMnO3−δ p–n junction for oxide-based thermoelectric generators. RSC Advances 2020 ;Volume 10.(9) p. 5026-5031 UiO SINTEF NTNU
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34. |
Schrade, Matthias; Berland, Kristian; Kosinskiy, Andrey; Heremans, Joseph P.; Finstad, Terje. Shallow Impurity Band in ZrNiSn. Journal of Applied Physics 2020 ;Volume 127.(4) NMBU UiO SINTEF
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35. |
Berland, Kristian; Chakraborty, Debajit; Thonhauser, T. Next-Generation Nonlocal van der Waals Density Functional. Journal of Chemical Theory and Computation 2020 NMBU
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36. |
Chakraborty, D.; Berland, K.; Thonhauser, T.. Next-Generation Nonlocal van der Waals Density Functional. Journal of Chemical Theory and Computation 2020 ;Volume 16.(9) p. 5893-5911 NMBU
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37. |
Fiedler, Johannes; Berland, Kristian; Spallek, F.; Brevik, Iver Håkon; Persson, Clas; Buhmann, S. Y.; Boström, Mathias. Nontrivial retardation effects in dispersion forces: From anomalous distance dependence to novel traps. Physical review B (PRB) 2020 ;Volume 101.(23) p. - NTNU NMBU UiO
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2019
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38. |
Guzik, Matylda N.; Schrade, Matthias; Tofan, Raluca; Almeida Carvalho, Patricia; Berland, Kristian; Sørby, Magnus Helgerud; Persson, Clas; Gunnæs, Anette Eleonora; Hauback, Bjørn. Long- and short-range structures of Ti1-xHfxNi1.0/1.1Sn half-Heusler compounds and their electric transport properties. CrysteEngComm 2019 ;Volume 21. p. 3330-3342 SINTEF NMBU IFE UiO
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39. |
Løvvik, Ole Martin; Berland, Kristian; Remonato, Filippo; Sagvolden, Espen; Flage-Larsen, Espen; Schrade, Matthias; Tanusilp, S.; Kurosaki, K.; Tabib, Mandar; Persson, Clas; Shulumba, Nina; Hellman, Olle; Skomedal, Gunstein. Screening thermoelectric materials with ab initio atomistic modelling and machine learning techniques. Invited Talk at the 17th European Conference on Thermoelectricity; 2019-09-23 - 2019-09-25 NTNU SINTEF UIA UiO NMBU
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40. |
Berland, Kristian; Chakraborty, Debajit; Thonhauser, Timo. van der Waals density functional with corrected C6 coefficients. Physical review B (PRB) 2019 ;Volume 99.(19) p. 1-12 UiO NMBU
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41. |
Berland, Kristian; Shulumba, Nina; Hellman, Olle; Persson, Clas; Løvvik, Ole Martin. Thermoelectric transport trends in group 4 half-Heusler alloys. Journal of Applied Physics 2019 ;Volume 126.(14) p. 1-15 NMBU UiO SINTEF
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42. |
Mjærum, Dagfinn Olaf Øvrevik. Layer Stacking and Electronic Properties of Hexagonal Covalent Organic Frameworks - A Computational Investigation with van der Waals Density Functional Theory. Oslo: Fysisk institutt, Universitetet i Oslo 2019 NMBU UiO
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2018
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43. |
Boström, Mathias; Thiyam, Priydarshini; Fiedler, Johannes; Persson, Clas; Berland, Kristian; Buhmann, Stefan Yoshi; Brevik, Iver Håkon; Shajesh, K. V.; Parsons, Drew F.. A habitat for life. Casimir Effect: Theory and Application--Workshop; 2018-06-11 - 2018-06-12 NTNU UiO
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44. |
Abu Hamed, Tareq; Adamovic, Nadja; Aeberhard, Urs; Alonso-Alvarez, Diego; Amin-Akhlaghi, Zoe; Auf der Maur, Matthias; Beattie, Neil; Bednar, Nikola; Berland, Kristian; Birner, Stefan; Califano, Marco; Capan, Ivana; Černe, Boštjan; Chilibon, Irinela; Connolly, James P.; Cortes Juan, Frederic; Coutinho, José; David, Christin; Deppert, Knut; Donchev, Vesselin; Drev, Marija; Ehlen, Boukje; Ekins-Daukes, Nicholas; Even, Jacky; Fara, Laurentiu; Fuertes Marron, David; Gagliardi, Alessio; Garrido, Blas; Gianneta, Violetta; Gomes, Maria; Guillemoles, Jean-Francois; Guina, Mircea; Halme, Janne; Hocevar, Mateja; Jacak, Lucjan; Jacak, Witold; Jaksic, Zoran; Joseph, Lejo K.; Kassavetis, Spyridon; Kazukauskas, Vaidotas; Kleider, Jean-Paul; Kluczyk, Katarzyna; Kopecek, Radovan; Krasovec, Ursa Opara; Lazzari, Jean-Louis; Lifshitz, Efrat; Loncaric, Martin; Madsen, Søren Peder; Marti Vega, Antonio; Mencaraglia, Denis; Messing, Maria E.; Murphy Armando, Felipe; Nassiopoulou, Androula G.; Neijm, Ahmed; Nemcsics, Akos; Neto, Victor; Pedesseau, Laurent; Persson, Clas; Petridis, Konstantinos; Popescu, Lacramioara; Pucker, Georg; Radovanović, Jelena; Rimada, Julio C.; Ristova, Mimoza; Savic, Ivana; Savin, Hele; Sendova-Vassileva, Marushka; Sengul, Abdurrahman; Silva, José; Steiner, Ullrich; Storch, Jan; Stratakis, Emmanuel; Tao, Shuxia; Tomanek, Pavel; Tomić, Stanko; Tukiainen, Antti; Turan, Rasit; Ulloa, Jose Maria; Wang, Shengda; Yuksel, Fatma; Zadny, Jaroslav; Zarbakhsh, Javad. Multiscale in modelling and validation for solar photovoltaics. EPJ Photovoltaics 2018 ;Volume 9. p. - UiO
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45. |
Berland, Kristian. Accelerated discovery of new materials. Gjesteforelesning; 2018-05-31 - 2018-05-31 UiO
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46. |
Berland, Kristian. Electronic and optical properties in density functional theory and beyond. Casimir Effect: Theory and Applications --- Sommerskole; 2018-06-13 - 2018-06-16 UiO
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47. |
Berland, Kristian. Non-local correlation functionals: Asymptotics versus expansion in GGA. Group seminar Voorhis group MIT; 2018-02-15 - 2018-02-16 UiO
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48. |
Berland, Kristian. Strategies to improve thermoelectric transport: Insights from first-principle studies on Half Heuslers. Thermoelectrics - from fundamentals to applications; 2018-04-25 - 2018-04-25 UiO
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49. |
Berland, Kristian. The van der Waals density functional. WFU theory seminar; 2018-02-12 - 2018-02-12 UiO
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50. |
Berland, Kristian. van der Waals density functional theory. Casimir Effect: Theory and Applications --- Sommerskole; 2018-06-13 - 2018-06-16 UiO
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