Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions

por Schütt, K. T., Gastegger, M., Tkatchenko, A., Müller, K.-R., Maurer, R. J.
Publicado 2019

Donor–Acceptor Co-Adsorption Ratio Controls the Structure and Electronic Properties of Two-Dimensional Alkali–Organic Networks on Ag(100)

por Sohail, B., Blowey, P. J., Rochford, L. A., Ryan, P. T. P., Duncan, D. A., Lee, T.-L., Starrs, P., Costantini, G., Woodruff, D. P., Maurer, R. J.
Publicado 2023

The Structure of VOPc on Cu(111): Does V=O Point Up, or Down, or Both?

por Blowey, P.J., Maurer, R.J., Rochford, L.A., Duncan, D.A., Kang, J.-H., Warr, D.A., Ramadan, A.J., Lee, T.-L., Thakur, P.K., Costantini, G., Reuter, K., Woodruff, D.P.
Publicado 2018