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ABINIT: Overview and focus on selected capabilities

The Journal of chemical physics, 2020-03, Vol.152 (12), p.124102-124102

2020

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Temperature dependence of the electronic structure of semiconductors and insulators

The Journal of chemical physics, 2015-09, Vol.143 (10), p.102813-102813

2015

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Enhanced piezoelectric effect in Janus group-III chalcogenide monolayers

Applied physics letters, 2017-04, Vol.110 (16)

2017

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A walk through the approximations of ab initio multiple spawning

The Journal of chemical physics, 2018-04, Vol.148 (13), p.134110-134110

2018

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Alchemical and structural distribution based representation for universal quantum machine learning

The Journal of chemical physics, 2018-06, Vol.148 (24), p.241717-241717

2018

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The Molpro quantum chemistry package

The Journal of chemical physics, 2020-04, Vol.152 (14), p.144107-144107

2020

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Placing single atoms in graphene with a scanning transmission electron microscope

Applied physics letters, 2017-09, Vol.111 (11)

2017

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Depletion-mode Ga2O3 metal-oxide-semiconductor field-effect transistors on β-Ga2O3 (010) substrates and temperature dependence of their device characteristics

Applied physics letters, 2013-09, Vol.103 (12)

2013

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Scalable molecular dynamics on CPU and GPU architectures with NAMD

The Journal of chemical physics, 2020-07, Vol.153 (4), p.044130-044130

2020

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SchNet – A deep learning architecture for molecules and materials

The Journal of chemical physics, 2018-06, Vol.148 (24), p.241722-241722

2018

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Gallium oxide (Ga2O3) metal-semiconductor field-effect transistors on single-crystal β-Ga2O3 (010) substrates

Applied physics letters, 2012-01, Vol.100 (1)

2012

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An optically pumped 2.5 μm GeSn laser on Si operating at 110 K

Applied physics letters, 2016-10, Vol.109 (17)

2016

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A review and analysis of microwave absorption in polymer composites filled with carbonaceous particles

Journal of applied physics, 2012-03, Vol.111 (6), p.061301-061301-24

2012

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Perspective on integrating machine learning into computational chemistry and materials science

The Journal of chemical physics, 2021-06, Vol.154 (23), p.230903-230903

2021

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Sparse learning of stochastic dynamical equations

The Journal of chemical physics, 2018-06, Vol.148 (24), p.241723-241723

2018

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Natural triple excitations in local coupled cluster calculations with pair natural orbitals

The Journal of chemical physics, 2013-10, Vol.139 (13), p.134101-134101

2013

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Perspective: Magnetic skyrmions—Overview of recent progress in an active research field

Journal of applied physics, 2018-12, Vol.124 (24)

2018

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Rotational electromagnetic energy harvester for human motion application at low frequency

Applied physics letters, 2020-02, Vol.116 (5)

2020

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Impact of threading dislocation density on the lifetime of InAs quantum dot lasers on Si

Applied physics letters, 2018-04, Vol.112 (15)

2018

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Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning

The Journal of chemical physics, 2018-06, Vol.148 (24), p.241706-241706

2018

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Influence of metal choice on (010) β-Ga2O3 Schottky diode properties

Applied physics letters, 2017-05, Vol.110 (20)

2017

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The ORCA quantum chemistry program package

The Journal of chemical physics, 2020-06, Vol.152 (22), p.224108-224108

2020

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Exploiting the advantages of the centrifugal softening effect in rotational impact energy harvesting

Applied physics letters, 2020-02, Vol.116 (6)

2020

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Regularized SCAN functional

The Journal of chemical physics, 2019-04, Vol.150 (16), p.161101-161101

2019

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Single-cycle terahertz pulses with amplitudes exceeding 1 MV/cm generated by optical rectification in LiNbO3

Applied physics letters, 2011-02, Vol.98 (9)

2011

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ABINIT: Overview and focus on selected capabilities

Temperature dependence of the electronic structure of semiconductors and insulators

Enhanced piezoelectric effect in Janus group-III chalcogenide monolayers

A walk through the approximations of ab initio multiple spawning

Alchemical and structural distribution based representation for universal quantum machine learning

The Molpro quantum chemistry package

Placing single atoms in graphene with a scanning transmission electron microscope

Depletion-mode Ga2O3 metal-oxide-semiconductor field-effect transistors on β-Ga2O3 (010) substrates and temperature dependence of their device characteristics

Scalable molecular dynamics on CPU and GPU architectures with NAMD

SchNet – A deep learning architecture for molecules and materials

Gallium oxide (Ga2O3) metal-semiconductor field-effect transistors on single-crystal β-Ga2O3 (010) substrates

An optically pumped 2.5 μm GeSn laser on Si operating at 110 K

A review and analysis of microwave absorption in polymer composites filled with carbonaceous particles

Perspective on integrating machine learning into computational chemistry and materials science

Sparse learning of stochastic dynamical equations

Natural triple excitations in local coupled cluster calculations with pair natural orbitals

Perspective: Magnetic skyrmions—Overview of recent progress in an active research field

Rotational electromagnetic energy harvester for human motion application at low frequency

Impact of threading dislocation density on the lifetime of InAs quantum dot lasers on Si

Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning

Influence of metal choice on (010) β-Ga2O3 Schottky diode properties

The ORCA quantum chemistry program package

Exploiting the advantages of the centrifugal softening effect in rotational impact energy harvesting

Regularized SCAN functional

Single-cycle terahertz pulses with amplitudes exceeding 1 MV/cm generated by optical rectification in LiNbO3

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