Expertise
Chemistry
- Coupled Cluster
- Diffusion Monte Carlo
- Ambient Reaction Temperature
- Coupled Cluster Theory
- Molecular Dynamics
- Variational Monte Carlo
- Wave Function
Biochemistry, Genetics and Molecular Biology
- Power Spectra
Organisations
Publications
2024
Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: Ethanol as a Benchmark (2024)Journal of chemical theory and computation, 20(14), 6020-6027. Slootman, E., Poltavsky, I., Shinde, R., Cocomello, J., Moroni, S., Tkatchenko, A. & Filippi, C.https://doi.org/10.1021/acs.jctc.4c00498TREX Symposium: Bridging Quantum Monte Carlo and High-Performance Simulations (2024)[Dataset Types › Dataset]. Zenodo. Filippi, C., Scemama, A., Casula, M., Rupp, M., Alavi, A., Jalby, W., Auweter, A., Hapka, M., Stich, I., Nakano, K., Skelin, M., Ceperley, D., Benali, A., Marzari, N., Zhang, S., Sukurma, Z., Slootman, E., Pierleoni, C., Carleo, G., … Gill, P.https://doi.org/10.5281/zenodo.10726799
Research profiles
Address
University of Twente
Carré (building no. 15), room C4037
Hallenweg 23
7522 NH Enschede
Netherlands
University of Twente
Carré C4037
P.O. Box 217
7500 AE Enschede
Netherlands
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