Publications de I-Chun Lin | EPFL Graph Search

Measurement of the Z boson production cross-section in proton-lead collisions at root(NN)-N-s=8.16 TeV

Lesya Shchutska, Olivier Schneider, Aurelio Bay, Guido Haefeli, Frédéric Blanc, Tatsuya Nakada, François Fleuret, John Martin Kolinski, Mingkui Wang, Chao Wang

This article presents the first measurement of the differential Z-boson production cross-section in the forward region using proton-lead collisions with the LHCb detector. The dataset was collected at a nucleon-nucleon centre-of-mass energy of root(NN)-N-s ...

Springer Nature2023

Amplitude analysis of the D+-> pi(-)pi(+)pi(+) decay and measurement of the pi(-)pi(+) S-wave amplitude

Lesya Shchutska, Olivier Schneider, Aurelio Bay, Guido Haefeli, Frédéric Blanc, Tatsuya Nakada, François Fleuret, John Martin Kolinski, Mingkui Wang, Chao Wang

An amplitude analysis of the D+-> (-)pi(+)pi(+) decay is performed with a sample corresponding to 1.5 fb(-1) of integrated luminosity of pp collisions at a centre-of-mass energy root s = 8 TeV collected by the LHCb detector in 2012. The sample contains app ...

Springer Nature2023

Structure and dynamics of liquid water from ab initio molecular dynamics - Comparison of BLYP, PBE and revPBE density functionals with and without van der Waals corrections

Ursula Röthlisberger, Ivano Tavernelli, I-Chun Lin

We investigate the accuracy provided by different treatments of the exchange and correlation effects, in particular the London dispersion forces, on the properties of liquid water using ab initio molecular dynamics simulations with density functional theor ...

Amer Chemical Soc2012

Dispersion-Corrected Atom-Centered Potentials for Phosphorous

Ursula Röthlisberger, Ivano Tavernelli, Michele Cascella, I-Chun Lin

Dispersion-corrected atom-centered; potentials (DCACPs) for the element phosphorus were generated and tested for the BLYP, BP, and PBE generalized gradient approximations of the exchange-correlation functional. The accuracy and transferability of the DCACP ...

2009

Multicenter density functionals: revised expression of the standard approximations of exchange-correlation functional

Ursula Röthlisberger, Ivano Tavernelli, I-Chun Lin

We propose to express corrections to the standard approximations of the exchange-correlation functionals in the form of multiatom-centered functionals that can be related to the atoms-in-molecules theory of Bader and a multicenter density expansion. Unlike ...

2009

Hydrogen bonding described using dispersion-corrected density functional theory

Ursula Röthlisberger, Jeremy Samuel Arey, I-Chun Lin

In recent works, dispersion-corrected atom-centered potentials (DCACPs) were developed as a method to account for long-range dispersion forces between molecules in density functional theory calculations within the generalized gradient approximation (GGA). ...

2009

Importance of weak interactions in liquid water

Ursula Röthlisberger, Ivano Tavernelli, I-Chun Lin

We present ab initio molecular dynamics studies on liquid water using density functional theory in conjunction with either dispersion-corrected atom-centered potentials or empirical van der Waals corrections. Our results show that improving the description ...

2009

Accurate DFT descriptions for weak interactions of molecules containing sulfur

Ursula Röthlisberger, Jeremy Samuel Arey, I-Chun Lin

Dispersion corrected atom centered potentials (DCACPs) have been shown to significantly improve the density functional theory (DFT) description of weak interactions. In this work, we have calibrated a DCACP for sulfur in combination with the widely used Ge ...

2009

Atom-centered potentials for describing London dispersion forces in density functional theory

I-Chun Lin

The Kohn-Sham formulation of density functional theory (DFT) has posed itself as one of the most popular and versatile methods for condensed phase studies owing to its reasonable accuracy and affordable computational cost. DFT, in principle, yields exact g ...

EPFL2008

Atom-centered potentials for describing dispersion forces in density functional theory

Ursula Röthlisberger, I-Chun Lin

2008