Zobrazeno 1 - 10
of 244
pro vyhledávání: '"Karsten Wedel Jacobsen"'
Publikováno v:
ACS Catalysis. 12:9679-9689
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2c372e852acd79b41bdba39aa97de2af
https://doi.org/10.1021/acscatal.2c02217
https://doi.org/10.1021/acscatal.2c02217
Autor:
Karsten Wedel Jacobsen, Peder Lyngby, Kristian Sommer Thygesen, Jens Jørgen Mortensen, Hadeel Moustafa
Publikováno v:
Moustafa, H, Lyngby, P M, Mortensen, J J, Thygesen, K S & Jacobsen, K W 2023, ' Hundreds of new, stable, one-dimensional materials from a generative machine learning model ', Physical Review Materials, vol. 7, no. 1, 014007 . https://doi.org/10.1103/PhysRevMaterials.7.014007
We use a generative neural network model to create thousands of new, one-dimensional materials. The model is trained using 508 stable one-dimensional materials from the Computational 1D Materials Database (C1DB) database. More than 500 of the new mat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8203f0014a0fa430032882e94827b398
https://doi.org/10.1103/physrevmaterials.7.014007
https://doi.org/10.1103/physrevmaterials.7.014007
Publikováno v:
Jelver, L, Hansen, O & Jacobsen, K W 2021, ' Assessing the role of quantum effects in two-dimensional heterophase MoTe2 field effect transistors ', Physical Review B, vol. 104, no. 4, 045313 . https://doi.org/10.1103/PhysRevB.104.045313
Jelver, L, Hansen, O & Jacobsen, K W 2021, ' Assessing the role of quantum effects in two-dimensional heterophase MoTe 2 field effect transistors ', Physical Review B, vol. 104, no. 4, 045313 . https://doi.org/10.1103/PhysRevB.104.045313
Jelver, L, Hansen, O & Jacobsen, K W 2021, ' Assessing the role of quantum effects in two-dimensional heterophase MoTe 2 field effect transistors ', Physical Review B, vol. 104, no. 4, 045313 . https://doi.org/10.1103/PhysRevB.104.045313
The two-dimensional (2D) transition metal dichalcogenides (TMDs) have been proposed as candidates for the channel material in future field effect transistor designs. The heterophase design, which utilizes the metallic T or ${\mathrm{T}}^{\ensuremath{
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47691e3a838e17bf79459e3c86194416
https://findresearcher.sdu.dk:8443/ws/files/199915886/PhysRevB.104.045313.pdf
https://findresearcher.sdu.dk:8443/ws/files/199915886/PhysRevB.104.045313.pdf
Publikováno v:
Kaappa, S, Larsen, C & Jacobsen, K W 2021, ' Atomic Structure Optimization with Machine-Learning Enabled Interpolation between Chemical Elements ', Physical Review Letters, vol. 127, no. 16, 166001 . https://doi.org/10.1103/PhysRevLett.127.166001
We introduce a computational method for global optimization of structure and ordering in atomic systems. The method relies on interpolation between chemical elements, which is incorporated in a machine-learning structural fingerprint. The method is b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ab9ea6b7c584e11af6244989a898173
https://pubmed.ncbi.nlm.nih.gov/34723620
https://pubmed.ncbi.nlm.nih.gov/34723620
Autor:
Thomas A. A. Batchelor, Jan Rossmeisl, Karsten Wedel Jacobsen, Simon H. Winther, Ivano E. Castelli, Jack K. Pedersen
Publikováno v:
Batchelor, T A A, Pedersen, J K, Winther, S H, Castelli, I E, Jacobsen, K W & Rossmeisl, J 2019, ' High-Entropy Alloys as a Discovery Platform for Electrocatalysis ', Joule, vol. 3, no. 3, pp. 834-845 . https://doi.org/10.1016/j.joule.2018.12.015
Summary High-entropy alloys (HEAs) provide a near-continuous distribution of adsorption energies. With a minority of sites having optimal properties that dominate the catalysis, the overall catalytic activity can increase. In this article, we focus o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3bf30ca0c6ce59d47ade9385615ac2a0
https://doi.org/10.1016/j.joule.2018.12.015
https://doi.org/10.1016/j.joule.2018.12.015
Publikováno v:
Kaappa, S, Del Río, E G & Jacobsen, K W 2021, ' Global optimization of atomic structures with gradient-enhanced Gaussian process regression ', Physical Review B, vol. 103, no. 17, 174114 . https://doi.org/10.1103/PhysRevB.103.174114
Determination of atomic structures is a key challenge in the fields of computational physics and materials science, as a large variety of mechanical, chemical, electronic, and optical properties depend sensitively on structure. Here, we present a glo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::146c60c215d0bf089a303e94e2cc7a28
https://doi.org/10.1103/physrevb.103.174114
https://doi.org/10.1103/physrevb.103.174114
Publikováno v:
University of Southern Denmark
Web of Science
Web of Science
The two-dimensional transition metal dichalcogenides (TMDs) have been proposed as candidates for the channel material in future field effect transistor designs. The heterophase design which utilizes the metallic T- or T' phase of the TMD as contacts
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::703db86bb75f35d82043fd8333e6306a
http://arxiv.org/abs/2104.05800
http://arxiv.org/abs/2104.05800
Publikováno v:
Jelver, L, Stradi, D, Stokbro, K & Jacobsen, K W 2021, ' Schottky barrier lowering due to interface states in 2D heterophase devices ', Nanoscale Advances, vol. 3, no. 2, pp. 567-574 . https://doi.org/10.1039/d0na00795a
The Schottky barrier of a metal-semiconductor junction is one of the key quantities affecting the charge transport in a transistor. The Schottky barrier height depends on several factors, such as work function difference, local atomic configuration i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8f8bf2ebf626aa59c60db74cda026de0
https://orbit.dtu.dk/en/publications/b342c3d6-fe8f-4bbf-ae6c-c8fceb2d1887
https://orbit.dtu.dk/en/publications/b342c3d6-fe8f-4bbf-ae6c-c8fceb2d1887
Publikováno v:
Mikkelsen, A E G, Schiøtz, J, Vegge, T & Jacobsen, K W 2021, ' Is the water-Pt(111) interface ordered at room temperature? ', Journal of Chemical Physics, vol. 155, no. 22 . https://doi.org/10.1063/5.0077580
The structure of the water/Pt(111) interface has been a subject of debate over the past decades. Here, we report the results of a room temperature molecular dynamics study based on neural network potentials, which allow us to access long time scale s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fdf97cb862882efa7b077c01c3ed830d
https://orbit.dtu.dk/en/publications/afd95d23-28ac-4d86-b5f7-6496c1265438
https://orbit.dtu.dk/en/publications/afd95d23-28ac-4d86-b5f7-6496c1265438
Autor:
Karsten Wedel Jacobsen, Keld T. Lundgaard, K. Søltoft, A. Nielsen, L. Sten, Poul F. Geertsen, L. Gullander, L. Andersson, Patrik Sibolt, L. Calmels, K. Hansen
Publikováno v:
Radiotherapy and Oncology. 161:S1689-S1690
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3503f45e2054a7a89ba94b2446340d3b
https://doi.org/10.1016/s0167-8140(21)08439-5
https://doi.org/10.1016/s0167-8140(21)08439-5