Expertises
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
Organisaties
Publicaties
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
Onderzoeksprofielen
Adres
Universiteit Twente
Carré (gebouwnr. 15), kamer C4037
Hallenweg 23
7522 NH Enschede
Universiteit Twente
Carré C4037
Postbus 217
7500 AE Enschede
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