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Currently displaying 101 - 120 of 339 publications

Interplay of structural and dynamical heterogeneity in the nucleation mechanism in nickel.

G Díaz Leines, A Michaelides, J Rogal

Faraday discussions

(2022)

235

406

(doi: 10.1039/d1fd00099c)

Observation and Characterization of Dicarbonyls on a RhCu Single-Atom Alloy.

Y Wang, J Schumann, EE Happel, V Çınar, ECH Sykes, M Stamatakis, A Michaelides, RT Hannagan

J Phys Chem Lett

(2022)

6316

(doi: 10.1021/acs.jpclett.2c01596)

The first-principles phase diagram of monolayer nanoconfined water

V Kapil, C Schran, A Zen, J Chen, CJ Pickard, A Michaelides

(2022)

(doi: 10.48550/arxiv.2110.14569)

Water Flow in Single-Wall Nanotubes: Oxygen Makes It Slip, Hydrogen Makes It Stick

FL Thiemann, C Schran, P Rowe, EA Müller, A Michaelides

ACS nano

(2022)

10775

(doi: 10.1021/acsnano.2c02784)

Tracking single atoms in a liquid environment

N Clark, DJ Kelly, M Zhou, Y-C Zou, CW Myung, DG Hopkinson, C Schran, A Michaelides, R Gorbachev, SJ Haigh

(2022)

(doi: 10.48550/arxiv.2203.04906)

Long-Range Ionic and Short-Range Hydration Effects Govern Strongly Anisotropic Clay Nanoparticle Interactions.

A Zen, T Bui, TT Bao Le, WJ Tay, K Chellappah, IR Collins, RD Rickman, A Striolo, A Michaelides

The journal of physical chemistry. C, Nanomaterials and interfaces

(2022)

126

8143

(doi: 10.1021/acs.jpcc.2c01306)

Can molecular simulations reliably compare homogeneous and heterogeneous ice nucleation?

D Atherton, A Michaelides, SJ Cox

The Journal of Chemical Physics

(2022)

156

164501

(doi: 10.1063/5.0085750)

The role of structural order in heterogeneous ice nucleation

GC Sosso, P Sudera, AT Backes, TF Whale, J Fröhlich-Nowoisky, M Bonn, A Michaelides, EHG Backus

Chemical Science

(2022)

5014

(doi: 10.1039/d1sc06338c)

General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides.

BX Shi, V Kapil, A Zen, J Chen, A Alavi, A Michaelides

The Journal of chemical physics

(2022)

156

124704

(doi: 10.1063/5.0087031)

How do interfaces alter the dynamics of supercooled water?

P Gasparotto, M Fitzner, SJ Cox, GC Sosso, A Michaelides

Nanoscale

(2022)

4254

(doi: 10.1039/d2nr00387b)

Water flow in single-wall nanotubes: Oxygen makes it slip, hydrogen makes it stick

FL Thiemann, C Schran, P Rowe, EA Müller, A Michaelides

(2022)

(doi: 10.48550/arxiv.2202.04955)

Rapid Water Diffusion at Cryogenic Temperatures through an Inchworm-like Mechanism

W Fang, KM Meyer Auf der Heide, C Zaum, A Michaelides, K Morgenstern

Nano letters

(2021)

340

(doi: 10.1021/acs.nanolett.1c03894)

2020 JCP Emerging Investigator Special Collection.

M Ceriotti, L Jensen, DE Manolopoulos, TJ Martinez, A Michaelides, JP Ogilvie, DR Reichman, Q Shi, JE Straub, C Vega, L-S Wang, E Weiss, X Zhu, JL Stein, T Lian

Journal of Chemical Physics

(2021)

155

230401

(doi: 10.1063/5.0078934)

Water/oil interfacial tension reduction - an interfacial entropy driven process

T Bui, H Frampton, S Huang, IR Collins, A Striolo, A Michaelides

Phys Chem Chem Phys

(2021)

25075

(doi: 10.1039/d1cp03971g)