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Recent advances and applications of machine learning in solid-state materials science

npj computational materials, 2019-08, Vol.5 (1), p.1-36, Article 83

2019

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Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods

Journal of chemical theory and computation, 2018-06, Vol.14 (6), p.3040-3052

2018

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Roadmap for Accelerated Domestication of an Emerging Perennial Grain Crop

Trends in plant science, 2020-06, Vol.25 (6), p.525-537

2020

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Machine Learning the Physical Nonlocal Exchange–Correlation Functional of Density-Functional Theory

The journal of physical chemistry letters, 2019-10, Vol.10 (20), p.6425-6431

2019

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Rapid detection of bacterial resistance to antibiotics using AFM cantilevers as nanomechanical sensors

Nature nanotechnology, 2013-07, Vol.8 (7), p.522-526

2013

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Predicting the Thermodynamic Stability of Solids Combining Density Functional Theory and Machine Learning

Chemistry of materials, 2017-06, Vol.29 (12), p.5090-5103

2017

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Benchmarking the Starting Points of the GW Approximation for Molecules

Journal of chemical theory and computation, 2013-01, Vol.9 (1), p.324-329

2013

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Reliability of short comparative genomic hybridization in fibroblasts and blastomeres for a comprehensive aneuploidy screening: first clinical application

Human reproduction (Oxford), 2010-07, Vol.25 (7), p.1824-1835

2010

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Dépistage de la fragilité chez les patients âgés éligibles au TAVI

Archives des maladies du coeur et des vaisseaux. Pratique, 2017-01, Vol.2017 (254), p.18-21

2017

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Marine origin collagens and its potential applications

Marine Drugs, 2014-12, Vol.12 (12), p.5881-5901

2014

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The NRF2 transcription factor plays a dual role in colorectal cancer: A systematic review

PloS one, 2017-05, Vol.12 (5), p.e0177549

2017

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Multifunctional biomaterials from the sea: Assessing the effects of chitosan incorporation into collagen scaffolds on mechanical and biological functionality

Acta biomaterialia, 2016-10, Vol.43, p.160-169

2016

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Description of high-energy pp collisions using Tsallis thermodynamics: Transverse momentum and rapidity distributions

Physical review. D, Particles, fields, gravitation, and cosmology, 2015-03, Vol.91 (5)

2015

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Mutation of a bHLH transcription factor allowed almond domestication

Science (American Association for the Advancement of Science), 2019-06, Vol.364 (6445), p.1095-1098

2019

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Neural network force fields for simple metals and semiconductors: construction and application to the calculation of phonons and melting temperatures

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (12), p.6506-6516

2019

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Computational acceleration of prospective dopant discovery in cuprous iodide

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (35), p.18839-18849

2019

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Intravenous arketamine for treatment-resistant depression: open-label pilot study

European archives of psychiatry and clinical neuroscience, 2021-04, Vol.271 (3), p.577-582

2021

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Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (47), p.31371-31396

2015

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Removal of fluoride from fertilizer industry effluent using carbon nanotubes stabilized in chitosan sponge

Journal of hazardous materials, 2020-04, Vol.388, p.122042-122042, Article 122042

2020

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Intravenous arketamine for treatment-resistant depression: open-label pilot study

European archives of psychiatry and clinical neuroscience, 2021-04, Vol.271 (3), p.577-582

2021

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Double perovskites as p-type conducting transparent semiconductors: a high-throughput search

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (24), p.1475-14711

2019

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Diagnosis of biofilm infections: current methods used, challenges and perspectives for the future

Journal of applied microbiology, 2021-11, Vol.131 (5), p.2148-2160

2021

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Deficiencies in cluster‐2 ALA lipid flippases result in salicylic acid‐dependent growth reductions

Physiologia plantarum, 2024-03, Vol.176 (2), p.e14228-n/a

2024

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Benchmark Many-Body GW and Bethe–Salpeter Calculations for Small Transition Metal Molecules

Journal of chemical theory and computation, 2014-09, Vol.10 (9), p.3934-3943

2014

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Time-dependent density-functional theory in massively parallel computer architectures: the octopus project

Journal of physics. Condensed matter, 2012-06, Vol.24 (23), p.233202-233202

2012

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Recent advances and applications of machine learning in solid-state materials science

Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods

Roadmap for Accelerated Domestication of an Emerging Perennial Grain Crop

Machine Learning the Physical Nonlocal Exchange–Correlation Functional of Density-Functional Theory

Rapid detection of bacterial resistance to antibiotics using AFM cantilevers as nanomechanical sensors

Predicting the Thermodynamic Stability of Solids Combining Density Functional Theory and Machine Learning

Benchmarking the Starting Points of the GW Approximation for Molecules

Reliability of short comparative genomic hybridization in fibroblasts and blastomeres for a comprehensive aneuploidy screening: first clinical application

Dépistage de la fragilité chez les patients âgés éligibles au TAVI

Marine origin collagens and its potential applications

The NRF2 transcription factor plays a dual role in colorectal cancer: A systematic review

Multifunctional biomaterials from the sea: Assessing the effects of chitosan incorporation into collagen scaffolds on mechanical and biological functionality

Description of high-energy pp collisions using Tsallis thermodynamics: Transverse momentum and rapidity distributions

Mutation of a bHLH transcription factor allowed almond domestication

Neural network force fields for simple metals and semiconductors: construction and application to the calculation of phonons and melting temperatures

Computational acceleration of prospective dopant discovery in cuprous iodide

Intravenous arketamine for treatment-resistant depression: open-label pilot study

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

Removal of fluoride from fertilizer industry effluent using carbon nanotubes stabilized in chitosan sponge

Intravenous arketamine for treatment-resistant depression: open-label pilot study

Double perovskites as p-type conducting transparent semiconductors: a high-throughput search

Diagnosis of biofilm infections: current methods used, challenges and perspectives for the future

Deficiencies in cluster‐2 ALA lipid flippases result in salicylic acid‐dependent growth reductions

Benchmark Many-Body GW and Bethe–Salpeter Calculations for Small Transition Metal Molecules

Time-dependent density-functional theory in massively parallel computer architectures: the octopus project

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