- HBMAP (Decoding, Mapping and Designing the Structural Complexity of Hydrogen-Bond Networks: from Water to Proteins to Polymers), Starting, Michele Ceriotti, 2016–2021.
- VARMET (Variational Metadynamics), Advanced, Michele Parrinello, 2016–2020.
- HyperQC (Hyper Quantum Criticality), Consolidator, Christian Rüegg, 2016–2021.
- MaGic (The Materials Genome in Action), Advanced, Berend Smit, 2015–2020.
- PreCoMet (Predictive Computational Metallurgy), Advanced, Bill Curtin, 2014–2019.
- E-MOBILE (Enhanced Modeling and Optimization of Batteries Incorporating Lithium-ion Elements), Starting, Mathieu Luisier, 2013–2018.
- Future Proof (Theoretical and Algorithmic Foundations for Future Proof Information and Inference Systems), Starting, Volkan Cevher, 2012–2016.
- comporel (Large-Scale Computational Screening and Design of Highly-ordered pi-conjugated Molecular Precursors to Organic Electronic), Starting, Clémence Corminboeuf, 2012–2017.
- ALGILE (Foundations of Algebraic and Dynamic Data Management Systems), Starting, Christoph Koch, 2012–2016
- CCICO (Coupled and Competing Instabilities in Complex Oxides), Advanced, Nicola Spaldin, 2012–2017.
- SIMCOFE (Simulated correlated fermions), Advanced, Matthias Troyer, 2012–2017.
- DYNCORSYS (Real-time dynamics of correlated many-body systems), Starting, Philipp Werner, 2012–2017.
- TopoMat (Topological insulators: computational exploration of emerging electronic materials), Starting, Oleg Yazyev, 2012–2017.
- DIAMOND (Discovery and Insight with Advanced Models Of Nanoscale Dimensions), Starting, Joost Vandevondele, 2011–2016.
- PUSHBOUND (Pushing the Boundaries of Molecular Dynamics Simulations), Advanced, Michele Parrinello, 2010–2015.