Hem

Ab initio teori och energimaterial

Ab Initio Methods and energy materials
Ab Initio Methods and energy materials

Publikationer

2024

Nikola Koutna, Lars Hultman, Paul H. Mayrhofer, Davide Sangiovanni (2024) Phase stability and mechanical property trends for MAB phases by high-throughput ab initio calculations Materials & design, Vol. 241, Artikel 112959 Vidare till DOI
Akun Liang, Israel Osmond, Georg Krach, Lan-Ting Shi, Lukas Bruening, Umbertoluca Ranieri, James Spender, Ferenc Tasnadi, Bernhard Massani, Callum R. Stevens, Ryan Stewart McWilliams, Eleanor Lawrence Bright, Nico Giordano, Samuel Gallego-Parra, Yuqing Yin, Andrey Aslandukov, Fariia Iasmin Akbar, Eugene Gregoryanz, Andrew Huxley, Miriam Pena-Alvarez, Jian-Guo Si, Wolfgang Schnick, Maxim Bykov, Florian Trybel, Dominique Laniel (2024) High-Pressure Synthesis of Ultra-Incompressible, Hard and Superconducting Tungsten Nitrides Advanced Functional Materials Vidare till DOI
Shun Kashiwaya, Yuchen Shi, Jun Lu, Davide Giuseppe Sangiovanni, Grzegorz Greczynski, Martin Magnuson, Mike Andersson, Johanna Rosén, Lars Hultman (2024) Synthesis of goldene comprising single-atom layer gold Nature Synthesis Vidare till DOI
Shuyao Lin, Luis Casillas-Trujillo, Ferenc Tasnadi, Lars Hultman, Paul H. Mayrhofer, Davide Sangiovanni, Nikola Koutna (2024) Machine-learning potentials for nanoscale simulations of tensile deformation and fracture in ceramics npj Computational Materials, Vol. 10, Artikel 67 Vidare till DOI
Kunpot Mopoung, Weihua Ning, Muyi Zhang, Fuxiang Ji, Kingshuk Mukhuti, Hans Engelkamp, Peter C. M. Christianen, Utkarsh Singh, Johan Klarbring, Sergey Simak, Igor Abrikosov, Feng Gao, Irina Buyanova, Weimin Chen, Yuttapoom Puttisong (2024) Understanding Antiferromagnetic Coupling in Lead-Free Halide Double Perovskite Semiconductors The Journal of Physical Chemistry C, Vol. 128, s. 5313-5320 Vidare till DOI
Mohammad Zarshenas, Davide Sangiovanni, Kostas Sarakinos (2024) Diffusion and magnetization of metal adatoms on single-layer molybdenum disulfide at elevated temperatures Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films, Vol. 42, Artikel 023409 Vidare till DOI
Florian Knoop, Nina Shulumba, Aloïs Castellano, J.P. Alvarinhas Batista, Roberta Farris, Matthieu J. Verstraete, Matthew Heine, David Broido, Dennis S. Kim, Johan Klarbring, Igor A. Abrikosov, Sergei I. Simak, Olle Hellman (2024) TDEP:Temperature Dependent Effective Potentials Journal of Open Source Software, Vol. 9, Artikel 6150 Vidare till DOI
Thaddaeus J. Koller, Siyu Jin, Viktoria Krol, Sebastian J. Ambach, Umbertoluca Ranieri, Saiana Khandarkhaeva, James Spender, Stewart McWilliams, Florian Trybel, Nico Giordano, Tomasz Poreba, Mohamed Mezouar, Xiaoyu Kuang, Cheng Lu, Leonid Dubrovinsky, Natalia Dubrovinskaia, Andreas Hermann, Wolfgang Schnick, Dominique Laniel (2024) Simple Molecules under High-Pressure and High-Temperature Conditions: Synthesis and Characterization of α- and β-C(NH)2 with Fully sp3-Hybridized Carbon Angewandte Chemie International Edition Vidare till DOI
Fanglong Yuan, Giulia Folpini, Tianjun Liu, Utkarsh Singh, Antonella Treglia, Jia Wei Melvin Lim, Johan Klarbring, Sergei I. Simak, Igor Abrikosov, Tze Chien Sum, Annamaria Petrozza, Feng Gao (2024) Bright and stable near-infrared lead-free perovskite light-emitting diodes Nature Photonics Vidare till DOI
Dominique Laniel, Florian Trybel, Andrey Aslandukov, Saiana Khandarkhaeva, Timofey Fedotenko, Yuqing Yin, Nobuyoshi Miyajima, Ferenc Tasnadi, Alena V. Ponomareva, Nityasagar Jena, Fariia Iasmin Akbar, Bjoern Winkler, Adrien Néri, Stella Chariton, Vitali Prakapenka, Victor Milman, Wolfgang Schnick, Alexander N. Rudenko, Mikhail I. Katsnelson, Igor A. Abrikosov, Leonid Dubrovinsky, Natalia Doubrovinckaia (2024) Synthesis of Ultra‐Incompressible and Recoverable Carbon Nitrides Featuring CN4 Tetrahedra Advanced Materials, Vol. 36, Artikel 2308030 Vidare till DOI

Kontakt

Forskningsledare

Sergey Simak

Professor, Enhetschef

Medarbetare

Olle Hellman
Adrian Kjellén
Forskningsassistent
Fotografi av Johan Klarbring
Johan Klarbring
Postdoktor
Fotografi av Florian Knoop
Florian Knoop
Postdoktor
Nikola Koutna
Fotografi av Carlos Rafael Salazar Letona
Carlos Rafael Salazar Letona
Doktorand
Fotografi av Davide Sangiovanni
Davide Sangiovanni
Universitetslektor, Docent
Fotografi av Nina Shulumba
Nina Shulumba
Sergey Simak
Professor, Enhetschef
Fotografi av Utkarsh Singh
Utkarsh Singh
Doktorand
Fotografi av Yuqing Yin
Yuqing Yin

Organisation

teaserbild teoretisk fysik

Teoretisk fysik (TEOFY)

Forskningen inom avdelningen för teoretisk fysik är inriktad på teoretisk materialvetenskap, nanovetenskap, elektromagnetisk modellering, och icke-linjär fysik.

Institutionen för fysik, kemi och biologi (IFM)

Vid Institutionen för fysik, kemi och biologi (IFM) bedrivs forskning och utbildning inom biologi, kemi, materialfysik, tillämpad fysik och teori och modellering.

Taggar