Publications


2017


Holec, D, Zhou, L, Riedl, H, Koller, CM, Mayrhofer, PH, Friák, M, Šob, M, Körmann, F, Neugebauer, J, Music, D, Hartmann, MA & Fischer, FD 2017, 'Atomistic Modeling-Based Design of Novel Materials', Advanced Engineering Materials, vol. 19, no. 4, 1600688. https://doi.org/10.1002/adem.201600688

Lesch, V, Diddens, D, Bernardes, CES, Golub, B, Dequidt, A, Zeindlhofer, V, Sega, M & Schroeder, C 2017, 'ForConX: A Forcefield Conversion Tool Based on XML', Journal of Computational Chemistry, vol. 38, no. 9, pp. 629-638. https://doi.org/10.1002/jcc.24708

Prehal, C, Koczwara, C, Jaeckel, N, Schreiber, A, Burian, M, Amenitsch, H, Hartmann, MA, Presser, V & Paris, O 2017, 'Quantification of ion confinement and desolvation in nanoporous carbon supercapacitors with modelling and in situ X-ray scattering', Nature Energy, vol. 2, no. 3, 16215. https://doi.org/10.1038/nenergy.2016.215

Locatelli, E, Handle, PH, Likos, CN, Sciortino, F & Rovigatti, L 2017, 'Condensation and Demixing in Solutions of DNA Nanostars and Their Mixtures', ACS Nano, vol. 11, no. 2, pp. 2094-2102. https://doi.org/10.1021/acsnano.6b08287

Cividini, J, Mukamel, D & Posch, HA 2017, 'Driven tracers in narrow channels', Physical Review E, vol. 95, no. 1, 012110. https://doi.org/10.1103/PhysRevE.95.012110

Qin, L, Redermeier, A, Kozeschnik, E, Karner, C & Dellago, C 2017, A statistical methodology to reconstruct nucleation pathways in the Fe-Cu system. in C Sommitsch, M Ionescu, B Mishra, B Mishra, E Kozeschnik & T Chandra (eds), THERMEC 2016. TRANS TECH PUBLICATIONS LTD, Materials Science Forum, vol. 879, pp. 1529-1534, 9th International Conference on Processing and Manufacturing of Advanced Materials, THERMEC 2016, Graz, Austria, 29/05/16. https://doi.org/10.4028/www.scientific.net/MSF.879.1529

Roldan-Vargas, S, Rovigatti, L & Sciortino, F 2017, 'Connectivity, dynamics, and structure in a tetrahedral network liquid', Soft Matter, vol. 13, no. 2, pp. 514-530. https://doi.org/10.1039/c6sm02282k

2016