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From Molecular Fragments to the Bulk: Development of a Neural Network Potential for MOF‑5

Journal of chemical theory and computation, 2019-06, Vol.15 (6), p.3793-3809

2019

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High-dimensional neural network potentials for magnetic systems using spin-dependent atom-centered symmetry functions

npj computational materials, 2021-10, Vol.7 (1), p.1-11, Article 170

2021

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CoRe optimizer: an all-in-one solution for machine learning

Machine learning: science and technology, 2024-03, Vol.5 (1), p.15018

2024

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Strained hydrogen bonding in imidazole trimer: a combined infrared, Raman, and theory study

Physical chemistry chemical physics : PCCP, 2019-03, Vol.21 (11), p.5989-5998

2019

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Lifelong Machine Learning Potentials

Journal of chemical theory and computation, 2023-06, Vol.19 (12), p.3509-3525

2023

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Insights into lithium manganese oxide–water interfaces using machine learning potentials

The Journal of chemical physics, 2021-12, Vol.155 (24), p.244703-244703

2021

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Predicting oxidation and spin states by high-dimensional neural networks: Applications to lithium manganese oxide spinels

The Journal of chemical physics, 2020-10, Vol.153 (16), p.164107-164107

2020

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A full additive QM/MM scheme for the computation of molecular crystals with extension to many-body expansions

The Journal of chemical physics, 2019-04, Vol.150 (15), p.154118-154118

2019

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SCINE—Software for chemical interaction networks

The Journal of chemical physics, 2024-06, Vol.160 (22)

2024

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Hybrid density functional theory benchmark study on lithium manganese oxides

Physical review. B, 2020-05, Vol.101 (20), Article 205113

2020

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Closing the gap between theory and experiment for lithium manganese oxide spinels using a high-dimensional neural network potential

Physical review. B, 2020-11, Vol.102 (17), p.174102, Article 174102

2020

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The Guinness Molecules for the Carbohydrate Formula

Chemical record, 2014-12, Vol.14 (6), p.1116-1133

2014

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The added value of diachronic treebanks for historical linguistics

Diachronica, 2018-01, Vol.35 (3), p.297

2018

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Synchronous Ovarian and Endometrial Cancer—an International Multicenter Case-Control Study

International journal of gynecological cancer, 2014-01, Vol.24 (1), p.54-60

2014

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The added value of diachronic treebanks for historical linguistics

Diachronica, 2018-11, Vol.35 (3), p.297-309

2018

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Modeling country-scale electricity demand profiles

Proceedings of the Winter Simulation Conference 2014, 2014, p.1084-1095

2014

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IEEE_Xplore

Shared Autonomous Electric Vehicles and the Power Grid: Applications and Research Challenges

2020 IEEE PES Innovative Smart Grid Technologies Europe (ISGT-Europe), 2020, p.1151-1155

2020

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High Risk Acute Lymphoblastic Leukemia with Rapid NOD/SCID Engraftment Is Characterized by High Protein Expression of CYCLIN B, Beta-CATENIN, ANNEXIN I and Decreased PKC Alpha Activation

Blood, 2011-11, Vol.118 (21), p.1457-1457

2011

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Xenografts of Pediatric Acute Lymphoblastic Leukemia Retain the Gene Expression Pattern From the Diagnostic Material They Originated From Over Serial Passages

Blood, 2009-11, Vol.114 (22), p.1629-1629

2009

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Uncovering Layers of History Through an Archaeological Excavation Prototype with a Tangible UI

Design for Equality and Justice, p.309-315

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From Molecular Fragments to the Bulk: Development of a Neural Network Potential for MOF‑5

High-dimensional neural network potentials for magnetic systems using spin-dependent atom-centered symmetry functions

CoRe optimizer: an all-in-one solution for machine learning

Strained hydrogen bonding in imidazole trimer: a combined infrared, Raman, and theory study

Lifelong Machine Learning Potentials

Insights into lithium manganese oxide–water interfaces using machine learning potentials

Predicting oxidation and spin states by high-dimensional neural networks: Applications to lithium manganese oxide spinels

A full additive QM/MM scheme for the computation of molecular crystals with extension to many-body expansions

SCINE—Software for chemical interaction networks

Hybrid density functional theory benchmark study on lithium manganese oxides

Closing the gap between theory and experiment for lithium manganese oxide spinels using a high-dimensional neural network potential

The Guinness Molecules for the Carbohydrate Formula

The added value of diachronic treebanks for historical linguistics

Synchronous Ovarian and Endometrial Cancer—an International Multicenter Case-Control Study

The added value of diachronic treebanks for historical linguistics

Early Relapse in ALL Is Identified by Time to Leukemia in NOD/SCID Mice and Is Characterized by a Gene Signature Involving Survival Pathways

Modeling country-scale electricity demand profiles

Shared Autonomous Electric Vehicles and the Power Grid: Applications and Research Challenges

High Risk Acute Lymphoblastic Leukemia with Rapid NOD/SCID Engraftment Is Characterized by High Protein Expression of CYCLIN B, Beta-CATENIN, ANNEXIN I and Decreased PKC Alpha Activation

Xenografts of Pediatric Acute Lymphoblastic Leukemia Retain the Gene Expression Pattern From the Diagnostic Material They Originated From Over Serial Passages

Uncovering Layers of History Through an Archaeological Excavation Prototype with a Tangible UI

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