Research Explorer

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Project

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

Outputs & Impact

Publications & research data ( 7 )

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

The significance of fluctuating charges for molecular polarizability and dispersion coefficients

YingXing ChengToon Verstraelen

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

Quantum free energy profiles for molecular proton transfers

Aran LamaireMaarten Cools-CeuppensMassimo BocusToon VerstraelenVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

A frequency-dependent polarizable force field : ACKS2ω

YingXing ChengToon Verstraelen

A new framework for frequency-dependent polarizable force fields

YingXing ChengToon Verstraelen

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

Polarization catastrophe in polarizable force fields : strong conditions for damped interactions

YingXing ChengRuben GoeminneToon Verstraelen

Simple models for weak interactions

Toon Verstraelen

Activities ( 0 )

Results

Impact narratives ( 0 )

Patents ( 0 )