المؤلفون: Rønne, Nikolaj, Christiansen, Mads-Peter V., Slavensky, Andreas Møller, Tang, Zeyuan, Brix, Florian, Pedersen, Mikkel Elkjær, Bisbo, Malthe Kjær, Hammer, Bjørk

المصدر: J. Chem. Phys. 157, 174115 (2022)

مصطلحات موضوعية: Physics - Chemical Physics, Computer Science - Machine Learning, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2208.09273

المؤلفون: Meldgaard, Søren Ager, Köhler, Jonas, Mortensen, Henrik Lund, Christiansen, Mads-Peter V., Noé, Frank, Hammer, Bjørk

مصطلحات موضوعية: Physics - Chemical Physics, Computer Science - Machine Learning

URL الوصول: http://arxiv.org/abs/2107.05007

المؤلفون: Mortensen, Henrik Lund, Meldgaard, Søren Ager, Bisbo, Malthe Kjær, Christiansen, Mads-Peter V., Hammer, Bjørk

المصدر: Phys. Rev. B 102, 075427 (2020)

مصطلحات موضوعية: Condensed Matter - Materials Science, Computer Science - Machine Learning, Physics - Chemical Physics, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2007.07523

المؤلفون: Slavensky, Andreas Møller¹ (AUTHOR), Christiansen, Mads-Peter V.¹ (AUTHOR), Hammer, Bjørk¹ (AUTHOR) hammer@phys.au.dk

المصدر: Journal of Chemical Physics. 7/14/2023, Vol. 159 Issue 2, p1-12. 12p.

مصطلحات موضوعية: *OPTIMIZATION algorithms, *RUTILE, *GLOBAL optimization, *OLIVINE, *POTENTIAL energy surfaces, *LANDSCAPES

المؤلفون: Christiansen, Mads Peter V., Rønne, Nikolaj, Hammer, Bjørk

المصدر: Christiansen , M P V , Rønne , N & Hammer , B 2022 , ' Atomistic global optimization X : A Python package for optimization of atomistic structures ' , Journal of Chemical Physics , vol. 157 , no. 5 , 054701 . https://doi.org/10.1063/5.0094165

الاتاحة: https://pure.au.dk/portal/en/publications/e4667cb4-dafd-4750-90e4-323a935674ba
https://doi.org/10.1063/5.0094165
http://www.scopus.com/inward/record.url?scp=85135584831&partnerID=8YFLogxK
https://arxiv.org/pdf/2204.01451.pdf

المؤلفون: Meldgaard, Søren Ager, Köhler, Jonas, Mortensen, Henrik Lund, Christiansen, Mads Peter V., Noé, Frank, Hammer, Bjørk

المصدر: Meldgaard , S A , Köhler , J , Mortensen , H L , Christiansen , M P V , Noé , F & Hammer , B 2022 , ' Generating stable molecules using imitation and reinforcement learning ' , Machine Learning: Science and Technology , vol. 3 , no. 1 , 015008 . https://doi.org/10.1088/2632-2153/ac3eb4

مصطلحات موضوعية: Chemical physics, Chemical space, Global optimization, Imitation learning, Reinforcement learning

الاتاحة: https://pure.au.dk/portal/da/publications/generating-stable-molecules-using-imitation-and-reinforcement-learning(11ee6314-579f-4495-b030-be1f13bca494).html
https://doi.org/10.1088/2632-2153/ac3eb4
http://www.scopus.com/inward/record.url?scp=85122376861&partnerID=8YFLogxK

المؤلفون: Christiansen, Mads-Peter V., Rønne, Nikolaj, Hammer, Bjørk

المصدر: Journal of Chemical Physics; 8/7/2022, Vol. 157 Issue 5, p1-16, 16p

مصطلحات موضوعية: GLOBAL optimization, PYTHON programming language, FULLERENES, MATHEMATICAL optimization, AMORPHOUS substances, NITRIDES

المؤلفون: Christiansen, Mads Peter V., Mortensen, Henrik Lund, Meldgaard, Søren Ager, Hammer, Bjørk

المصدر: Christiansen , M P V , Mortensen , H L , Meldgaard , S A & Hammer , B 2020 , ' Gaussian representation for image recognition and reinforcement learning of atomistic structure ' , The Journal of Chemical Physics , vol. 153 , no. 4 , 153 . https://doi.org/10.1063/5.0015571

وصف الملف: application/pdf

الاتاحة: https://pure.au.dk/portal/da/publications/gaussian-representation-for-image-recognition-and-reinforcement-learning-of-atomistic-structure(18623ade-0822-491a-a2e0-eef525f32684).html
https://doi.org/10.1063/5.0015571
https://pure.au.dk/ws/files/227075747/Gaussian_representation_for_image_recognition_and_reinforcement_learning_of_atomistic_structure.pdf
http://www.scopus.com/inward/record.url?scp=85089132392&partnerID=8YFLogxK

المؤلفون: Christiansen, Mads-Peter V., Mortensen, Henrik Lund, Meldgaard, Søren Ager, Hammer, Bjørk

المصدر: Journal of Chemical Physics; 7/28/2020, Vol. 153 Issue 4, p1-11, 11p, 1 Color Photograph, 1 Illustration, 3 Diagrams, 2 Charts, 6 Graphs

مصطلحات موضوعية: IMAGE representation, IMAGE recognition (Computer vision), COMPUTATIONAL physics, REINFORCEMENT learning, MACHINE learning

المؤلفون: Chiriki, Siva, Christiansen, Mads-Peter V., Hammer, B.

المساهمون: Villum Fonden

المصدر: Physical Review B ; volume 100, issue 23 ; ISSN 2469-9950 2469-9969

الاتاحة: http://dx.doi.org/10.1103/physrevb.100.235436
https://link.aps.org/article/10.1103/PhysRevB.100.235436
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.100.235436/fulltext