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List of works by Lin Lin

86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy

scientific article published on 21 September 2020

Adaptively Compressed Exchange Operator for Large-Scale Hybrid Density Functional Calculations with Applications to the Adsorption of Water on Silicene.

scientific article

Fast real-time time-dependent density functional theory calculations with the parallel transport gauge

scientific article published on 02 November 2018

Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons.

scientific article

Interpolative Separable Density Fitting Decomposition for Accelerating Hybrid Density Functional Calculations with Applications to Defects in Silicon.

scientific article

Interpolative Separable Density Fitting through Centroidal Voronoi Tessellation With Applications to Hybrid Functional Electronic Structure Calculations.

scientific article published on 25 January 2018

Projected Commutator DIIS Method for Accelerating Hybrid Functional Electronic Structure Calculations.

scientific article published on 22 September 2017

Pure State <i>v</i>-Representability of Density Matrix Embedding Theory

scientific article published on 27 January 2022

Siesta: Recent developments and applications

scientific article published on 01 May 2020

Staggered Mesh Method for Correlation Energy Calculations of Solids: Random Phase Approximation in Direct Ring Coupled Cluster Doubles and Adiabatic Connection Formalisms

scientific article published on 06 January 2022

Staggered Mesh Method for Correlation Energy Calculations of Solids: Second-Order Møller–Plesset Perturbation Theory

scientific article published on 04 July 2021

Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller-Plesset Perturbation Theory

scientific article published on 19 December 2019

Two-Level Chebyshev Filter Based Complementary Subspace Method: Pushing the Envelope of Large-Scale Electronic Structure Calculations.

scientific article published on 16 April 2018

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