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3by Kevin M Conley, Vaibhav Thakore, Fahime Seyedheydari, Mikko Karttunen, Tapio Ala-NissilaSubjects: '; “...Foundations of quantum mechanics...”
Published 2020
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4by Devashish Pandey, Rui Sampaio, Tapio Ala-Nissila, Guillermo Albareda, Xavier Oriols“... of properties to unmeasured quantum systems in general. This arbitrary limitation of orthodox quantum mechanics...”
Published 2021
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5by Petri Hirvonen, Mikko M. Ervasti, Zheyong Fan, Morteza Jalalvand, Matthew Seymour, S. Mehdi Vaez Allaei, Nikolas Provatas, Ari Harju, Ken R. Elder, Tapio Ala-Nissila“..., thermal, or electronic properties. By fitting to quantum-mechanical density functional theory (DFT...”
Published 2016
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6by Petri Hirvonen, Zheyong Fan, Mikko M. Ervasti, Ari Harju, Ken R. Elder, Tapio Ala-Nissila“... with classical molecular dynamics simulations and quantum-mechanical density functional theory calculations. We...”
Published 2017
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7by Khatereh Azizi, Petri Hirvonen, Zheyong Fan, Ari Harju, Ken R. Elder, Tapio Ala-Nissila, Mehdi V. Allaei“... to the classical MD data. The corrected data are in good agreement with quantum mechanical Landauer-Butticker...”
Published 2017
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8by Arsalan Hashemi, Christopher Linderälv, Arkady V Krasheninnikov, Tapio Ala-Nissila, Paul Erhart, Hannu-Pekka Komsa“... and optical signatures in particular is crucial. Here, we employ quantum mechanical density functional theory...”
Published 2021
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9“... and heights of g/hBN bilayers to those obtained from existing quantum-mechanical density functional theory...”
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10by Joakim Brorsson, Arsalan Hashemi, Zheyong Fan, Erik Fransson, Fredrik Eriksson, Tapio Ala-Nissila, Arkady V Krasheninnikov, Hannu‐Pekka Komsa, Paul Erhart“... surface relevant to vibrational motion. They can be efficiently parametrized using quantum mechanical...”
Published 2021
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11“... potential (NEP) trained against abundant reference data calculated at the quantum-mechanical density...”
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