Mortensen, Jens Jørgen
- Atomic Simulation Recipes -- a Python framework and library for\n automated workflows
2021/04/27 by Morten N. Gjerding, Gjerding, Morten, Thorbjørn Skovhus +11 · 3 citations
Computer Science · Materials Science · #Advanced Data Storage Technologies #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- Hundreds of new, stable, one-dimensional materials from a generative machine learning model
2022/10/17 by Hadeel Moustafa, Peder Lyngby, Moustafa, Hadeel +7 · 2 citations
Materials Science · #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
- Numerical Quality Control for DFT-based Materials Databases
2020/08/24 by Christian Carbogno, Kristian S. Thygesen, Carbogno, Christian +23 · 1 citation
Chemistry · Materials Science · #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography #Zeolite Catalysis and Synthesis
- Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set
2024/08/06 by Aleksei V. Ivanov, Ivanov, Aleksei V., Andrew D. Patterson +15 · 1 voice · 1 citation
Computer Science · Materials Science · #Diamond and Carbon-based Materials Research #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography