Research Highlights | The ICE Group

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Read more at: “DMC-ICE13” – our dataset of 13 ice polymorphs lattice energies computed with diffusion Monte Carlo is on the cover in JCP!

“DMC-ICE13” – our dataset of 13 ice polymorphs lattice energies computed with diffusion Monte Carlo is on the cover in JCP!

03/10/2022

Read more at: Our deep learning method — “IcePic” — to predict a materials ice nucleation ability has been published in PNAS

Our deep learning method — “IcePic” — to predict a materials ice nucleation ability has been published in PNAS

27/07/2022

Read more at: Nano Letters paper on impact of defects on morphology of graphene

Nano Letters paper on impact of defects on morphology of graphene

05/10/2021

Read more at: PNAS paper on machine learning potentials for complex aqueous systems made simple

PNAS paper on machine learning potentials for complex aqueous systems made simple

14/09/2021

Read more at: Science paper about the theory-led design of a single-atom-alloy catalyst for C-H activation

Science paper about the theory-led design of a single-atom-alloy catalyst for C-H activation

12/07/2021

Read more at: PNAS paper looking at forming cubic ice from liquid water for the first time!

PNAS paper looking at forming cubic ice from liquid water for the first time!

26/03/2021

Read more at: Nature Communications paper looking at ice nucleation on substrates!

Nature Communications paper looking at ice nucleation on substrates!

22/09/2020

Read more at: Nature Reviews Chemistry on surface premelting of water ice published!

Nature Reviews Chemistry on surface premelting of water ice published!

01/03/2019

Read more at: Single-atom alloy Perspective made it onto the JPCL cover!

Single-atom alloy Perspective made it onto the JPCL cover!

13/09/2018

Read more at: Andrea’s and Gerit’s paper published in the PNAS

Andrea’s and Gerit’s paper published in the PNAS

06/02/2018

Read more at: New paper accepted in Nature Chemistry

New paper accepted in Nature Chemistry

10/11/2017

Read more at: QMC on 2D ice paper published at Phys. Rev. B

QMC on 2D ice paper published at Phys. Rev. B

07/12/2016

Read more at: Understanding the formation of the long range chiral network of 2-butanol

Understanding the formation of the long range chiral network of 2-butanol

30/10/2016

Read more at: Structures of two dimensional ice predicted by computer simulations

Structures of two dimensional ice predicted by computer simulations

25/03/2016

Read more at: Stable Two-Dimensional Radioactive Films: An Atomic-Scale Picture

Stable Two-Dimensional Radioactive Films: An Atomic-Scale Picture

25/02/2016

Read more at: Nanodroplets surfing on graphene

Nanodroplets surfing on graphene

25/01/2016

Read more at: Older Highlights

Older Highlights