Xin Li

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KTH Royal Institute of Technology

Sweden

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Multiscale Modelling of Photosynthetic Light-Harvesting On GPU-Accelerated Platforms

Open Date: 2015-10-01

Close Date: 2017-10-01

Articles (10)

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2024

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2024

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2023

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2022

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2021

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2021

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2021

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2021

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2021

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2020

Collaborators (6)

Chenchen Song

Assistant Professor

University of California, Davis

UNITED STATES

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Michael Herbst

RWTH Aachen University

GERMANY

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Patrick Norman

Professor, Head of Department of Theoretical Chemistry and Biology

KTH Royal Institute of Technology

SWEDEN

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Zilvinas Rinkevicius

KTH Royal Institute of Technology

SWEDEN

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Iulia Emilia Brumboiu

KTH Royal Institute of Technology

SWEDEN

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Christoph Bannwarth

RWTH Aachen University

GERMANY

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Xin Li

Research Interests

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Recent Grants

Articles (10)

Toward Accurate Two-Photon Absorption Spectrum Simulations: Exploring the Landscape beyond the Generalized Gradient Approximation

Efficient and Parallel Implementation of Real and Complex Response Functions Employing the Second-Order Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator

eChem: A Notebook Exploration of Quantum Chemistry

Efficient Kohn–Sham density-functional theory implementation of isotropic spectroscopic observables associated with quadratic response functions

Gator: A Python‐driven program for spectroscopy simulations using correlated wave functions

Size-dependent polarizabilities and van der Waals dispersion coefficients of fullerenes from large-scale complex polarization propagator calculations

Reversibly modulating a conformation-adaptive fluorophore in [2]catenane

Constructing photochromic diarylethene with NIR-absorption beyond 800 nm

Cover Image, Volume 11, Issue 2

TeraChem : A graphical processing unit ‐accelerated electronic structure package for large‐scale ab initio molecular dynamics

Collaborators (6)

Chenchen Song

Michael Herbst

Patrick Norman

Zilvinas Rinkevicius

Iulia Emilia Brumboiu

Christoph Bannwarth

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