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Putri, R. M., Zulfikri, H., Fredy, J. W., Juan, A., Tananchayakul, P., Cornelissen, J. J. L. M., ... Katsonis, N. (2018). Photoprogramming Allostery in Human Serum Albumin. Bioconjugate chemistry, 29(7), 2215-2224. DOI: 10.1021/acs.bioconjchem.8b00184
Dash, M., Moroni, S., Scemama, A., & Filippi, C. (2018). Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo. Journal of chemical theory and computation, 14(8), 4176-4182. DOI: 10.1021/acs.jctc.8b00393
Assaraf, R., Moroni, S., & Filippi, C. (2017). Optimizing the energy with quantum Monte Carlo: A lower numerical scaling for Jastrow-Slater expansions. Journal of chemical theory and computation, 13(11), 5273-5281. [13]. DOI: 10.1021/acs.jctc.7b00648
Filippi, C., Assaraf, R., & Moroni, S. (2016). Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo. Journal of chemical physics, 144(194105), 194105-. [194105]. DOI: 10.1063/1.4948778
Guareschi, R., Zulfikri, H., Daday, C., Floris, F. M., Amovilli, C., Mennucci, B., & Filippi, C. (2016). Introducing QMC/MMpol: Quantum Monte Carlo in polarizable force fields for excited states. Journal of chemical theory and computation, 12(4), 1674-1683. DOI: 10.1021/acs.jctc.6b00044
Guareschi, R., Valsson, O., Curutchet, C., Mennucci, B., & Filippi, C. (2016). Electrostatic versus resonance interactions in photoreceptor proteins: The case of rhodopsin. Journal of physical chemistry letters, 7(22), 4547-4553. DOI: 10.1021/acs.jpclett.6b02043
Zulfikri, H., Amovilli, C., & Filippi, C. (2016). Multiple-resonance local wave functions for accurate excited states in quantum Monte Carlo. Journal of chemical theory and computation, 12(3), 1157-1168. DOI: 10.1021/acs.jctc.5b01077
Zulfikri, H., Guareschi, R., & Filippi, C. (2016). Multiscale modeling of photoreceptor proteins: Squeezing blood from stones. -. Poster session presented at MESA+ Meeting 2016, Enschede, Netherlands.
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Universiteit Twente
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Universiteit Twente
Faculteit Technische Natuurwetenschappen
Carré
C4031
Postbus 217
7500 AE Enschede