Organisaties
Nevenwerkzaamheden
- NWONWO committee for the Scientific Use of Supercomputers (WGS)
Publicaties
2025
Experimental demonstration of boson sampling as a hardware accelerator for monte carlo integration (2025)[Working paper › Preprint]. ArXiv.org. Anguita, M. C., Roelink, T., Marzban, S., Briels, W. J., Filippi, C. & Renema, J. J.https://doi.org/10.48550/arXiv.2509.25404Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer (2025)The Journal of chemical physics, 163(10). Article 104110. Della Pia, F., Shi, B. X., Al-Hamdani, Y. S., Alfé, D., Anderson, T. A., Barborini, M., Benali, A., Casula, M., Drummond, N. D., Dubecký, M., Filippi, C., Kent, P. R. C., Krogel, J. T., López Ríos, P., Lüchow, A., Luo, Y., Michaelides, A., Mitas, L., Nakano, K., … Zen, A.https://doi.org/10.1063/5.0272974Optimizing excited states in quantum Monte Carlo: A reassessment of double excitations (2025)The Journal of chemical physics, 163(2). Article 024119. Shepard, S., Scemama, A., Moroni, S. & Filippi, C.https://doi.org/10.1063/5.0272733Shifting sands of hardware and software in exascale quantum mechanical simulations (2025)Nature Reviews Physics, 7(7), 378-387. Article e1692. Shinde, R., Filippi, C., Scemama, A. & Jalby, W.https://doi.org/10.1038/s42254-025-00823-7Is fixed-node diffusion quantum Monte Carlo reproducible? (2025)[Working paper › Preprint]. ArXiv.org. Della Pia, F., Shi, B., Al-Hamdani, Y. S., Alfè, D., Anderson, T., Barborini, M., Benali, A., Casula, M., Drummond, N., Dubecký, M., Filippi, C., Kent, P., Krogel, J., López Ríos, P., Lüchow, A., Luo, Y., Michaelides, A., Mitas, L., Nakano, K., … Zen, A.https://doi.org/10.48550/arXiv.2501.12950Causing and Curing Headaches with Quantum Monte Carlo: Accurate Forces for Machine-Learned Force Fields (2025)[Contribution to conference › Poster] 22nd International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods 2025. Slootman, E., Charkin-Gorbulin, A., Shinde, R. L., Moroni, S., Poltavsky, I., Tkatchenko, A. & Filippi, C.
2024
Roadmap on methods and software for electronic structure based simulations in chemistry and materials (2024)Electronic Structure, 6(4). Article 042501. Blum, V., Asahi, R., Autschbach, J., Bannwarth, C., Bihlmayer, G., Blügel, S., Burns, L. A., Crawford, T. D., Dawson, W., de Jong, W. A., Draxl, C., Filippi, C., Genovese, L., Giannozzi, P., Govind, N., Hammes-Schiffer, S., Hammond, J. R., Hourahine, B., Jain, A., … Windus, T.https://doi.org/10.1088/2516-1075/ad48ecMachine-Learning Models from Accurate QMC Forces: The Case Study of Ethanol (2024)[Contribution to conference › Poster] MESA+ Day 2024. Slootman, E., Poltavsky, I., Shinde, R. L., Cocomello, J., Moroni, S., Tkatchenko, A. & Filippi, C.Exascale Quantum Mechanical Simulations: Navigating the Shifting Sands of Hardware and Software (2024)[Working paper › Preprint]. ChemRxiv. Shinde, R., Filippi, C., Scemama, A. & Jalby, W.https://doi.org/10.26434/chemrxiv-2024-qcgfd-v2Accurate 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.4c00498
Onderzoeksprofielen
Vakken collegejaar 2025/2026
Vakken in het huidig collegejaar worden toegevoegd op het moment dat zij definitief zijn in het Osiris systeem. Daarom kan het zijn dat de lijst nog niet compleet is voor het gehele collegejaar.
Vakken collegejaar 2024/2025
Adres
Universiteit Twente
Carré (gebouwnr. 15), kamer C4031
Hallenweg 23
7522 NH Enschede
Universiteit Twente
Carré C4031
Postbus 217
7500 AE Enschede
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