A

Ambler, Michael, Vorselaars, Bart, Allen, Michael P. and Quigley, David (2017) Solid–liquid interfacial free energy of ice Ih, ice Ic, and ice 0 within a mono-atomic model of water via the capillary wave method. Journal of Chemical Physics, 146 (7). 074701. ISSN 0021-9606

Andreussi, Oliviero, Brumme, Thomas, Bunau, Oana, Buongiorno Nardelli, Marco, Calandra, Matteo, Car, Roberto, Cavazzoni, Carlo, Ceresoli, Davide, Cococcioni, Matteo, Colonna, Nicola, Carnimeo, Ivan, Dal Corso, Andrea, de Gironcoli, Stefano, Delugas, Pietro, DiStasio, Robert, Ferretti, Andrea, Floris, Andrea, Fratesi, Guido, Fugallo, Giorgia, Gebauer, Ralph, Gerstmann, Uwe, Giustino, Feliciano, Gorni, Tommaso, Jia, Junteng, Kawamura, Mitsuaki, Ko, Hsin-Yu, Kokalj, Anton, Küçükbenli, Emine, Lazzeri, Michele, Marsili, Margherita, Marzari, Nicola, Mauri, Francesco, Nguyen, Ngoc Linh, Nguyen, Huy-Viet, Otero-de-la-Roza, Alberto, Paulatto, Lorenzo, Poncé, Samuel, Giannozzi, Paolo, Rocca, Dario, Sabatini, Riccardo, Santra, Biswajit, Schlipf, Martin, Seitsonen, Ari Paavo, Smogunov, Alexander, Timrov, Iurii, Thonhauser, Timo, Umari, Paolo, Vast, Nathalie, Wu, Xifan and Baroni, Stefano (2017) Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter . ISSN 0953-8984

B

Benet, Jorge, Paillusson, Fabien and Kusumaatmaja, Halim (2017) On the critical Casimir interaction between anisotropic inclusions on a membrane. Physical Chemistry Chemical Physics, 19 . pp. 24188-24196. ISSN 1463-9076

C

Christodoulidi, Helen (2017) Extensive packet excitations in FPU and Toda lattices. Europhysics Letters (EPL), 119 (4). p. 40005. ISSN 0295-5075

D

Diaz, Javier, Pinna, Marco, Zvelindovsky, Andrei V., Asta, Adelchi and Pagonabarraga, Ignacio (2017) Cell dynamic simulations of diblock copolymer/colloid systems. Macromolecular Theory and Simulations, 26 (1). ISSN 1521-3919

G

Guo, Chunyan, Wang, Yu, Kittelmann, Markus, Kantorovitch, Lev, Kühnle, Angelika and Floris, Andrea (2017) Mechanisms of covalent dimerization on a bulk insulating surface. The Journal of Physical Chemistry C, 121 (18). pp. 10053-10062. ISSN 1932-7447

H

Hu, Zhongliang, Haruna, Maje, Gao, Hui, Nourafkan, Ehsan and Wen, Dongsheng (2017) Rheological Properties of Partially Hydrolyzed Polyacrylamide Seeded by Nanoparticles. Ind. Eng. Chem. Res. . ISSN 0888-5885

Hu, Zhongliang, Nourafkan, Ehsan, Gao, Hui and Wen, Dongsheng (2017) Microemulsions stabilized by in-situ synthesized nanoparticles for enhanced oil recovery. Fuel, 210 . pp. 272-281. ISSN 0016-2361

Hu, Zhongliang, Zhao, Jin, Gao, Hui, Nourafkan, Ehsan and Wen, Dongsheng (2017) Transport and Deposition of Carbon Nanoparticles in Saturated Porous Media. MDPI energy . ISSN 1996-1073

I

Imrich, Wilfried and Smith, Simon M. (2017) On a theorem of Halin. Abhandlungen aus dem Mathematischen Seminar der Universität Hamburg, 87 (2). pp. 289-297. ISSN 0025-5858

K

Khukhro, E. I., Makarenko, N. Yu. and Shumyatsky, P. (2017) Finite groups and Lie rings with an automorphism of order 2n. Proceedings of the Edinburgh Mathematical Society, 60 (2). pp. 319-412. ISSN 0013-0915

Khukhro, Evgeny and Shumyatsky, Pavel (2017) Engel-type subgroups and length parameters of finite groups. Israel Journal of Mathematics, 222 (2). pp. 599-629. ISSN 0021-2172

Khukhro, Evgeny and Shumyatsky, Pavel (2017) Length-type parameters of finite groups with almost unipotent automorphisms. Doklady Mathematics, 95 (1). pp. 43-45. ISSN 1064-5624

L

Li, Junning, Wang, Yu, Curcio, Davide, Lizzit, Silvano, Baraldi, Alessandro, Kantorovich, Lev and Floris, Andrea (2017) Ethylene Dissociation on Ni3Al(111). The Journal of Physical Chemistry C, 121 (14). pp. 7967-7976. ISSN 1932-7447

M

Mattarei, Sandro and Pizzato, Marco (2017) Generalizations of self-reciprocal polynomials. Finite Fields and Their Applications, 48 . pp. 271-288. ISSN 1071-5797

McIlroy, Claire and Olmsted, P.D. (2017) Disentanglement effects on welding behaviour of polymer melts during the fused-filament-fabrication method for additive manufacturing. Polymer, 123 . pp. 376-391. ISSN 0032-3861

McIlroy, Claire and Olmsted, Peter D. (2017) Deformation of an amorphous polymer during the fused-filament-fabrication method for additive manufacturing. Journal of Rheology, 61 (2). pp. 379-397. ISSN 0148-6055

Miyazawa, Keisuke, Watkins, Matthew, Shluger, Alexander and Fukuma, Takeshi (2017) Influence of ions on two-dimensional and three-dimensional atomic force microscopy at fluorite-water interfaces. Nanotechnology, 28 (4). p. 245701. ISSN 0957-4484

N

Neumann, Peter, Praeger, Cheryl and Smith, Simon (2017) Some infinite permutation groups and related finite linear groups. Journal of the Australian Mathematical Society, 102 (1). pp. 136-149. ISSN 1446-7887

Nourafkan, Ehsan (2017) Evaluation of adsorption of nonionic surfactants blend at water/oil interfaces. Journal of Dispersion Science and Technology, 39 (5). pp. 665-675. ISSN 0193-2691

Nourafkan, Ehsan, Asachi, Maryam, Gao, Hui, Raza, Ghulum and Wen, Dongsheng (2017) Synthesis of stable iron oxide nanoparticle dispersions in high ionic media. Journal of Industrial and Engineering Chemistry . ISSN 1226-086X

Nourafkan, Ehsan, Gao, Hui, Hu, Zhongliang and Dongsheng, Wen (2017) Formulation optimization of reverse microemulsions using design of experiments for nanoparticles synthesis. chemical engineering research and design, 125 . pp. 367-384. ISSN 0263-8762

R

Roccatano, Danilo (2017) A short introduction to the molecular dynamics simulation of nanomaterials. In: Micro and nanomanufacturing. Springer Nature, pp. 123-155. ISBN 9783319671307, 9783319671321

Roccatano, Danilo, Sarukhanyan, Edita and Zangi, Ronen (2017) Adsorption mechanism of an antimicrobial peptide on carbonaceous surfaces: a molecular dynamics study. Journal of chemical Physics, 146 (7). 074703. ISSN 0021-9606

S

Smith, Simon (2017) A product for permutation groups and topological groups. Duke Mathematical Journal, 166 (15). pp. 2965-2999. ISSN 0012-7094

Spencer, Russell K. W., Vorselaars, Bart and Matsen, Mark W. (2017) Continuous thermodynamic integration in field-theoretic simulations of structured polymers. Macromolecular Theory and Simulations, 26 (5). p. 1700036. ISSN 1022-1344