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From strong van der Waals complexes to hydrogen bonding: From CO⋯H2O to CS⋯H2O and SiO⋯H2O complexes

The Journal of chemical physics, 2012-06, Vol.136 (24), p.244305-244305

2012

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Semi-exact concentric atomic density fitting: reduced cost and increased accuracy compared to standard density fitting

The Journal of chemical physics, 2014-02, Vol.140 (6), p.064109-064109

2014

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A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions

The Journal of chemical physics, 2015-04, Vol.142 (15), p.154106-154106

2015

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In search of the next Holy Grail of polyoxide chemistry: Explicitly correlated ab initio full quartic force fields for HOOH, HOOOH, HOOOOH, and their isotopologues

The Journal of chemical physics, 2012-02, Vol.136 (8), p.084302-084302-9

2012

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Fast construction of the exchange operator in an atom-centred basis with concentric atomic density fitting

Molecular physics, 2017-09, Vol.115 (17-18), p.2065-2076

2017

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Explicitly correlated atomic orbital basis second order Møller-Plesset theory

The Journal of chemical physics, 2013-02, Vol.138 (6), p.064107-064107

2013

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Arbitrary order El'yashevich-Wilson B tensor formulas for the most frequently used internal coordinates in molecular vibrational analyses

The Journal of chemical physics, 2012-10, Vol.137 (16), p.164103-164103

2012

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Tetragermacyclobutadiene: Energetically Disfavored with Respect to Its Structural Isomers

Chemistry : a European journal, 2013-06, Vol.19 (23), p.7487-7495

2013

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The benzene + OH potential energy surface: intermediates and transition states

Physical chemistry chemical physics : PCCP, 2011, Vol.13 (6), p.2214-2221

2011

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mdspan in C++: A Case Study in the Integration of Performance Portable Features into International Language Standards

2019 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC), 2019, p.60-70

2019

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Explicitly correlated atomic orbital basis second order Moeller--Plesset theory

The Journal of chemical physics, 2013-01, Vol.138 (6)

2013

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The benzene+OH potential energy surface: intermediates and transition states

Physical chemistry chemical physics : PCCP, 2011-02, Vol.13 (6), p.2214-2221

2011

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The benzene+OH potential energy surface: intermediates and transition statesElectronic supplementary information (ESI) available: Full Cartesian geometries; additional focal point tables; comparison of geometry optimization methods; comparison of OH frequency shifts for different methods. See DOI: 10.1039/c0cp01607a

2011-01

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Metaprogramming-Enabled Parallel Execution of Apparently Sequential C++ Code

2016 Second International Workshop on Extreme Scale Programming Models and Middlewar (ESPM2), 2016, p.24-31

2016

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Evolving the Message Passing Programming Model via a Fault-Tolerant, Object-oriented Transport Layer

Proceedings of the 5th Workshop on Fault Tolerance for HPC at eXtreme Scale, 2015, p.41-46

2015

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Making OpenMP Ready for C++ Executors

OpenMP: Conquering the Full Hardware Spectrum, p.320-332

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Distributed Memory Futures for Compile-Time, Deterministic-by-Default Concurrency in Distributed C++ Applications

2018 IEEE/ACM 4th International Workshop on Extreme Scale Programming Models and Middleware (ESPM2), 2018, p.1-8

2018

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Kokkos 3: Programming Model Extensions for the Exascale Era

IEEE transactions on parallel and distributed systems, 2022-04, Vol.33 (4), p.1-1

2022

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Comparison of Gait Parameters for Predicting Cognitive Decline: The Mayo Clinic Study of Aging

Journal of Alzheimer's disease, 2017-01, Vol.55 (2), p.559-567

2017

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The association between peripheral total IGF-1, IGFBP-3, and IGF-1/IGFBP-3 and functional and cognitive outcomes in the Mayo Clinic Study of Aging

Neurobiology of aging, 2018-06, Vol.66, p.68-74

2018

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Longitudinal Association Between Brain Amyloid-Beta and Gait in the Mayo Clinic Study of Aging

The journals of gerontology. Series A, Biological sciences and medical sciences, 2018-08, Vol.73 (9), p.1244-1250

2018

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Cerebral Amyloid Deposition Is Associated with Gait Parameters in the Mayo Clinic Study of Aging

Journal of the American Geriatrics Society (JAGS), 2017-04, Vol.65 (4), p.792-799

2017

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Relationships between knee valgus, hip-muscle strength, and hip-muscle recruitment during a single-limb step-down

Journal of sport rehabilitation, 2009-02, Vol.18 (1), p.104-117

2009

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Comparative ecologic relationships of saturated fat, sucrose, food groups, and a Mediterranean food pattern score to 50-year coronary heart disease mortality rates among 16 cohorts of the Seven Countries Study

European journal of clinical nutrition, 2018-08, Vol.72 (8), p.1103-1110

2018

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Value Alignment for Advanced Artificial Judicial Intelligence

American philosophical quarterly (Oxford), 2023-04, Vol.60 (2), p.187-203

2023

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From strong van der Waals complexes to hydrogen bonding: From CO⋯H2O to CS⋯H2O and SiO⋯H2O complexes

Semi-exact concentric atomic density fitting: reduced cost and increased accuracy compared to standard density fitting

A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions

In search of the next Holy Grail of polyoxide chemistry: Explicitly correlated ab initio full quartic force fields for HOOH, HOOOH, HOOOOH, and their isotopologues

Fast construction of the exchange operator in an atom-centred basis with concentric atomic density fitting

Explicitly correlated atomic orbital basis second order Møller-Plesset theory

Arbitrary order El'yashevich-Wilson B tensor formulas for the most frequently used internal coordinates in molecular vibrational analyses

Tetragermacyclobutadiene: Energetically Disfavored with Respect to Its Structural Isomers

The benzene + OH potential energy surface: intermediates and transition states

mdspan in C++: A Case Study in the Integration of Performance Portable Features into International Language Standards

Explicitly correlated atomic orbital basis second order Moeller--Plesset theory

The benzene+OH potential energy surface: intermediates and transition states

Metaprogramming-Enabled Parallel Execution of Apparently Sequential C++ Code

Evolving the Message Passing Programming Model via a Fault-Tolerant, Object-oriented Transport Layer

Making OpenMP Ready for C++ Executors

Distributed Memory Futures for Compile-Time, Deterministic-by-Default Concurrency in Distributed C++ Applications

Kokkos 3: Programming Model Extensions for the Exascale Era

Comparison of Gait Parameters for Predicting Cognitive Decline: The Mayo Clinic Study of Aging

The association between peripheral total IGF-1, IGFBP-3, and IGF-1/IGFBP-3 and functional and cognitive outcomes in the Mayo Clinic Study of Aging

Longitudinal Association Between Brain Amyloid-Beta and Gait in the Mayo Clinic Study of Aging

Cerebral Amyloid Deposition Is Associated with Gait Parameters in the Mayo Clinic Study of Aging

Relationships between knee valgus, hip-muscle strength, and hip-muscle recruitment during a single-limb step-down

Comparative ecologic relationships of saturated fat, sucrose, food groups, and a Mediterranean food pattern score to 50-year coronary heart disease mortality rates among 16 cohorts of the Seven Countries Study

Value Alignment for Advanced Artificial Judicial Intelligence

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