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Project

Modeling long-range correlation energies in extended systems: Monopolar charge fluctuations

Information

Project Team

Organisations

Outputs and Outcomes

Publications

The tale of HORTON : lessons learned in a decade of scientific software development

Matthew ChanToon VerstraelenAlireza TehraniMichelle RicherXiaotian Derrick YangTaewon David KimEsteban Vöhringer-MartinezFarnaz Heidar ZadehPaul W. Ayers

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

2024

The significance of fluctuating charges for molecular polarizability and dispersion coefficients

YingXing ChengToon Verstraelen

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

2023

A new framework for frequency-dependent polarizable force fields

YingXing ChengToon Verstraelen

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

2022