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In situ quantification of the nucleation and growth of Fe-rich intermetallics during Al alloy solidification

Acta materialia, 2014-10, Vol.79, p.292-303

2014

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Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State

Physical review letters, 2016-01, Vol.116 (4), p.043201-043201, Article 043201

2016

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Electron spin changes during general anesthesia in Drosophila

Proceedings of the National Academy of Sciences - PNAS, 2014-08, Vol.111 (34), p.E3524-E3533

2014

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Nonlocal Effects in the Nanofocusing Performance of Plasmonic Tips

Nano letters, 2012-06, Vol.12 (6), p.3308-3314

2012

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The treatment of electronic excitations in atomistic models of radiation damage in metals

Reports on progress in physics, 2010-11, Vol.73 (11), p.116501

2010

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The microscopic Einstein-de Haas effect

The Journal of chemical physics, 2019-06, Vol.150 (22), p.224109-224109

2019

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Rectification and negative differential resistance via orbital level pinning

Scientific reports, 2018-06, Vol.8 (1), p.9120-8, Article 9120

2018

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A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states

The Journal of chemical physics, 2011-06, Vol.134 (24), p.244101-244101-10

2011

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Coordinate-Free and Low-Order Scaling Machine Learning Model for Atomic Partial Charge Prediction for Any Size of Molecules

Journal of chemical information and modeling, 2024-06, Vol.64 (11), p.4419-4425

2024

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Which wets TiB2 inoculant particles: Al or Al3Ti?

Journal of alloys and compounds, 2016-04, Vol.664, p.460-468

2016

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Electron-Energy Loss Study of Nonlocal Effects in Connected Plasmonic Nanoprisms

ACS nano, 2013-07, Vol.7 (7), p.6287-6296

2013

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Revealing Interface Polarization Effects on the Electrical Double Layer with Efficient Open Boundary Simulations under Potential Control

The journal of physical chemistry letters, 2024-05, Vol.15 (18), p.4872-4879

2024

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A computational model for a molecular chemical sensor

Nanoscale, 2024-03, Vol.16 (1), p.5334-5342

2024

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The swipe card model of odorant recognition

Sensors, 2012-11, Vol.12 (11), p.15709-15749

2012

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Molecular dynamics study of structure and reactions at the hydroxylated Mg(0001)/bulk water interface

The Journal of chemical physics, 2022-10, Vol.157 (15), p.154705-154705

2022

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Molecular recognition in olfaction

Advances in physics: X, 2017-05, Vol.2 (3), p.937-977

2017

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Quantum-classical simulations of the electronic stopping force and charge on slow heavy channelling ions in metals

Journal of physics. Condensed matter, 2013-03, Vol.25 (12), p.125501-125501

2013

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Role of electron localisation in H adsorption and hydride formation in the Mg basal plane under aqueous corrosion: a first-principles study

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (8), p.5989-61

2023

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The Einstein-de Haas effect in an Fe15 cluster

Journal of physics. Condensed matter, 2023-12, Vol.35 (49)

2023

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The Einstein-de Haas Effect in an Fe 15 Cluster

Journal of physics. Condensed matter, 2023-12, Vol.35 (49), p.495804

2023

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Molecular conduction: Do time-dependent simulations tell you more than the Landauer approach?

The Journal of chemical physics, 2006-06, Vol.124 (21), p.214708-214708-7

2006

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Efficient local-orbitals based method for ultrafast dynamics

The Journal of chemical physics, 2017-07, Vol.147 (4), p.044111-044111

2017

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Odour character differences for enantiomers correlate with molecular flexibility

Journal of the Royal Society interface, 2009-01, Vol.6 (30), p.75-86

2009

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Structure and interactions at the Mg(0001)/water interface: An ab initio study

The Journal of chemical physics, 2022-06, Vol.156 (24), p.244702-244702

2022

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First-principles calculation of Mg/MgO interfacial free energies

Journal of alloys and compounds, 2015-11, Vol.650, p.228-238

2015

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In situ quantification of the nucleation and growth of Fe-rich intermetallics during Al alloy solidification

Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State

Electron spin changes during general anesthesia in Drosophila

Nonlocal Effects in the Nanofocusing Performance of Plasmonic Tips

The treatment of electronic excitations in atomistic models of radiation damage in metals

The microscopic Einstein-de Haas effect

Rectification and negative differential resistance via orbital level pinning

A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states

Coordinate-Free and Low-Order Scaling Machine Learning Model for Atomic Partial Charge Prediction for Any Size of Molecules

Which wets TiB2 inoculant particles: Al or Al3Ti?

Electron-Energy Loss Study of Nonlocal Effects in Connected Plasmonic Nanoprisms

Revealing Interface Polarization Effects on the Electrical Double Layer with Efficient Open Boundary Simulations under Potential Control

A computational model for a molecular chemical sensor

The swipe card model of odorant recognition

Molecular dynamics study of structure and reactions at the hydroxylated Mg(0001)/bulk water interface

Molecular recognition in olfaction

Quantum-classical simulations of the electronic stopping force and charge on slow heavy channelling ions in metals

Role of electron localisation in H adsorption and hydride formation in the Mg basal plane under aqueous corrosion: a first-principles study

The Einstein-de Haas effect in an Fe15 cluster

The Einstein-de Haas Effect in an Fe 15 Cluster

Molecular conduction: Do time-dependent simulations tell you more than the Landauer approach?

Efficient local-orbitals based method for ultrafast dynamics

Odour character differences for enantiomers correlate with molecular flexibility

Structure and interactions at the Mg(0001)/water interface: An ab initio study

First-principles calculation of Mg/MgO interfacial free energies

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