Wippermann, S. M.; Vörös, M.; Gali, A.; Galli, G.; Zimanyi, G. T.: Comparative study of Si and Ge nanoparticles with exotic core phases for solar energy conversion. In: 2013 IEEE 39th Photovoltaic Specialists Conference (PVSC), 6744307, pp. 0989 - 0992 (Ed. Institute of Electrical and Electronics Engineers Inc.). 2013 IEEE 39th Photovoltaic Specialists Conference (PVSC), Tampa, FL, USA. IEEE (2013)
Schmidt, W. G.; Wippermann, S. M.; Rauls, E.; Gerstmann, U.; Sanna, S.; Thierfelder, C.; Landmann, M.; dos Santos, L. S.: Si(111)-In Nanowire Optical Response from Large-scale Ab Initio Calculations. In: High Performance Computing in Science and Engineering 2010, pp. 149 - 158. 14th Annual Results and Review Workshop on High Performance Computing in Science and Engineering, Stuttgart University, Stuttgart, Germany, October 04, 2010 - October 05, 2010. Springer-Verlag Berlin, Berlin, Germany (2011)
Schmidt, W. G.; Blankenburg, S.; Rauls, E.; Wippermann, S. M.; Gerstmann, U.; Sanna, S.; Thierfelder, C.; Koch, N.; Landmann, M.: Understanding Long-range Indirect Interactions Between Surface Adsorbed Molecules. In: High Performance Computing in Science and Engineering 2009, pp. 75 - 84. 12th Results and Review Workshop on High Performance Computing in
Science and Engineering, Stuttgart University , Stuttgart, Germany, October 08, 2009 - October 09, 2009. (2010)
Wippermann, S. M.; Schmidt, W. G.; Thissen, P.; Grundmeier, G.: Dissociative and molecular adsorption of water on alpha-Al2O3(0001). In: Physica Status Solidi C, Vol. 7, pp. 137 - 140. 12th International Conference on Formation of Semiconductor Interfaces, Weimar, Germany, July 05, 2009 - July 10, 2009. Wiley-VCH, Weinheim (2010)
Schmidt, W. G.; Blankenburg, S.; Wippermann, S. M.; Hermann, A. M.; Hahn, P.; Preuss, M.; Seino, K.; Bechstedt, F.: Anomalous water optical absorption: Large-scale first-principles simulations. In: High Performance Computing in Science and Engineering '06, pp. 49 - 58. 9th Results and Review Workshop on High Performance Computing in Science and Engineering, Stuttgart University, Stuttgart, Germany, October 19, 2006 - October 20, 2006. (2007)
Todorova, M.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Atomic insights into fundamental processes at electrochemical solid/liquid interface by ab initio calculations. 38th Topical Meeting of the International Society of Electrochemistry: Nanomaterials in Electrochemistry, Manchester, UK (2024)
Todorova, M.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Ab Initio Calculations for electrified solid/liquid interfaces – Challenges, insights and Opportunities. GRC Aqueous Corrosion: Corrosion Challenges and Opportunities for the Energy Transition, New London, NH, USA (2024)
Neugebauer, J.; Deißenbeck, F.; Wippermann, S. M.; Todorova, M.: Getting the Electrochemical Interface into an Ab Initio Supercell. CECAM workshop "Electrochemical Interfaces in Energy Storage: Advances in Simulations, Methods and Models", Lausanne, Switzerland (2024)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
This project will aim at developing MEMS based nanoforce sensors with capacitive sensing capabilities. The nanoforce sensors will be further incorporated with in situ SEM and TEM small scale testing systems, for allowing simultaneous visualization of the deformation process during mechanical tests
The utilization of Kelvin Probe (KP) techniques for spatially resolved high sensitivity measurement of hydrogen has been a major break-through for our work on hydrogen in materials. A relatively straight forward approach was hydrogen mapping for supporting research on hydrogen embrittlement that was successfully applied on different materials, and…
It is very challenging to simulate electron-transfer reactions under potential control within high-level electronic structure theory, e. g. to study electrochemical and electrocatalytic reaction mechanisms. We develop a novel method to sample the canonical NVTΦ or NpTΦ ensemble at constant electrode potential in ab initio molecular dynamics…
Photovoltaic materials have seen rapid development in the past decades, propelling the global transition towards a sustainable and CO2-free economy. Storing the day-time energy for night-time usage has become a major challenge to integrate sizeable solar farms into the electrical grid. Developing technologies to convert solar energy directly into…
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one. With this project, we aim to…