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Blossom-Quad: A non-uniform quadrilateral mesh generator using a minimum-cost perfect-matching algorithm

International journal for numerical methods in engineering, 2012-03, Vol.89 (9), p.1102-1119

2012

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Measurement and laser control of attosecond charge migration in ionized iodoacetylene

Science (American Association for the Advancement of Science), 2015-11, Vol.350 (6262), p.790-795

2015

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Geometrical validity of curvilinear finite elements

Journal of computational physics, 2013-01, Vol.233, p.359-372

2013

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Selective bond formation triggered by short optical pulses: quantum dynamics of a four-center ring closure

Physical chemistry chemical physics : PCCP, 2020-10, Vol.22 (39), p.2232-22313

2020

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A quantum information processing machine for computing by observables

Proceedings of the National Academy of Sciences - PNAS, 2023-03, Vol.120 (11), p.e2220069120-e2220069120

2023

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Electronic coherences built by an attopulse control the forces on the nuclei

Journal of physics. B, Atomic, molecular, and optical physics, 2024-07, Vol.57 (13)

2024

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An Electronic Time Scale in Chemistry

Proceedings of the National Academy of Sciences - PNAS, 2006-05, Vol.103 (18), p.6793-6798

2006

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miRNA and mRNA cancer signatures determined by analysis of expression levels in large cohorts of patients

Proceedings of the National Academy of Sciences - PNAS, 2013-11, Vol.110 (47), p.19160-19165

2013

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Massively parallel classical logic via coherent dynamics of an ensemble of quantum systems with dispersion in size

Proceedings of the National Academy of Sciences - PNAS, 2020-09, Vol.117 (35), p.21022-21030

2020

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Time evolution of entanglement of electrons and nuclei and partial traces in ultrafast photochemistry

Physical chemistry chemical physics : PCCP, 2022-07, Vol.24 (29), p.17516-17525

2022

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The density matrix via few dominant observables: The quantum interference in the isotope effect for atto-pumped N2

The Journal of chemical physics, 2021-07, Vol.155 (2), p.024109-024109

2021

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GPU accelerated spectral finite elements on all-hex meshes

Journal of computational physics, 2016-11, Vol.324 (C), p.246-257

2016

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Surprisal of a quantum state: Dynamics, compact representation, and coherence effects

The Journal of chemical physics, 2020-12, Vol.153 (21), p.214105-214105

2020

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Ultrafast fs coherent excitonic dynamics in CdSe quantum dots assemblies addressed and probed by 2D electronic spectroscopy

The Journal of chemical physics, 2021-01, Vol.154 (1), p.014301-014301

2021

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Tuning the Properties of Pd Nanoclusters by Ligand Coatings: Electronic Structure Computations on Phosphine, Thiol, and Mixed Phosphine–Thiol Ligand Shells

Journal of physical chemistry. C, 2014-05, Vol.118 (18), p.9790-9800

2014

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High-quality surface remeshing using harmonic maps

International journal for numerical methods in engineering, 2010-07, Vol.83 (4), p.403-425

2010

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A computational approach to handle complex microstructure geometries

Computer methods in applied mechanics and engineering, 2003-07, Vol.192 (28), p.3163-3177

2003

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Quantum Device Emulates the Dynamics of Two Coupled Oscillators

The journal of physical chemistry letters, 2020-09, Vol.11 (17), p.6990-6995

2020

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CAD and mesh repair with Radial Basis Functions

Journal of computational physics, 2012-03, Vol.231 (5), p.2376-2387

2012

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Ultrafast geometrical reorganization of a methane cation upon sudden ionization: an isotope effect on electronic non-equilibrium quantum dynamics

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (21), p.1251-1259

2021

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Atomistic account of structural and dynamical changes induced by small binders in the double helix of a short DNA

Physical chemistry chemical physics : PCCP, 2014-07, Vol.16 (27), p.14070-14082

2014

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Charge Redistribution Effects on the UV–Vis Spectra of Small Ligated Gold Clusters: a Computational Study

Journal of physical chemistry. C, 2015-05, Vol.119 (20), p.10969-10980

2015

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All-DNA finite-state automata with finite memory

Proceedings of the National Academy of Sciences - PNAS, 2010-12, Vol.107 (51), p.21996-22001

2010

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Temporal and spatially resolved imaging of the correlated nuclear-electronic dynamics and of the ionized photoelectron in a coherently electronically highly excited vibrating LiH molecule

The Journal of chemical physics, 2019-10, Vol.151 (13), p.134310-134310

2019

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Quantum Nuclear Dynamics Pumped and Probed by Ultrafast Polarization Controlled Steering of a Coherent Electronic State in LiH

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-05, Vol.120 (19), p.3343-3352

2016

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Blossom-Quad: A non-uniform quadrilateral mesh generator using a minimum-cost perfect-matching algorithm

Measurement and laser control of attosecond charge migration in ionized iodoacetylene

Geometrical validity of curvilinear finite elements

Selective bond formation triggered by short optical pulses: quantum dynamics of a four-center ring closure

A quantum information processing machine for computing by observables

Electronic coherences built by an attopulse control the forces on the nuclei

An Electronic Time Scale in Chemistry

miRNA and mRNA cancer signatures determined by analysis of expression levels in large cohorts of patients

Massively parallel classical logic via coherent dynamics of an ensemble of quantum systems with dispersion in size

Time evolution of entanglement of electrons and nuclei and partial traces in ultrafast photochemistry

The density matrix via few dominant observables: The quantum interference in the isotope effect for atto-pumped N2

GPU accelerated spectral finite elements on all-hex meshes

Surprisal of a quantum state: Dynamics, compact representation, and coherence effects

Ultrafast fs coherent excitonic dynamics in CdSe quantum dots assemblies addressed and probed by 2D electronic spectroscopy

Tuning the Properties of Pd Nanoclusters by Ligand Coatings: Electronic Structure Computations on Phosphine, Thiol, and Mixed Phosphine–Thiol Ligand Shells

High-quality surface remeshing using harmonic maps

A computational approach to handle complex microstructure geometries

Quantum Device Emulates the Dynamics of Two Coupled Oscillators

CAD and mesh repair with Radial Basis Functions

Ultrafast geometrical reorganization of a methane cation upon sudden ionization: an isotope effect on electronic non-equilibrium quantum dynamics

Atomistic account of structural and dynamical changes induced by small binders in the double helix of a short DNA

Charge Redistribution Effects on the UV–Vis Spectra of Small Ligated Gold Clusters: a Computational Study

All-DNA finite-state automata with finite memory

Temporal and spatially resolved imaging of the correlated nuclear-electronic dynamics and of the ionized photoelectron in a coherently electronically highly excited vibrating LiH molecule

Quantum Nuclear Dynamics Pumped and Probed by Ultrafast Polarization Controlled Steering of a Coherent Electronic State in LiH

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