Codes to reproduce results in published paper. Mostly related to charge transport in organic semiconductors and matrix product states. You can run the codes online via the binder button above.
- Gould90. Diffusion Quantum Monte Carlo. P. J. Reynolds, J. Tobochnik, and H. Gould. Comput. Phys. 1990, 4, 662.
- Bonca99. Holstein Polaron. J. Bonča, S. A. Trugman, and I. Batistić. Phys. Rev. B 1999, 60, 1633.
- Hannewald04. Anisotropy Effects in Phonon-Assisted Charge-Carrier Transport in Organic Molecular Crystals. K. Hannewald and P. A. Bobbert. Phys. Rev. B 2004, 69, 075212.
- Troisi06. Charge-Transport Regime of Crystalline Organic Semiconductors: Diffusion Limited by Thermal Off-Diagonal Electronic Disorder. A. Troisi and G. Orlandi. Phys. Rev. Lett. 2006, 96, 086601.
- Nan09PRB. Nuclear Tunneling Effects of Charge Transport in Rubrene, Tetracene, and Pentacene. G. Nan, X. Yang, L. Wang, Z. Shuai and Y. Zhao. Phys. Rev. B 2009, 79, 115203.
- Wang10. Computational methods for design of organic materials with high charge mobility. L. Wang, G. Nan, X. Yang, Q. Peng, Q. Li and Z. Shuai, Chem. Soc. Rev. 2010, 39, 423. Also Nan09JCP Charge transfer rates in organic semiconductors beyond first-order perturbation: From weak to strong coupling regimes. G. Nan, L. Wang, X. Yang, Z. Shuai, Y. Zhao. J. Chem. Phys., 2009, 130, 024704.
- Haegeman11. Time-Dependent Variational Principle for Quantum Lattices. J. Haegeman, J. I. Cirac, T. J. Osborne, I. Pižorn, H. Verschelde and F. Verstraete. Phys. Rev. Lett. 2011, 107, 070601.
- Nematiaram19. Practical Computation of the Charge Mobility in Molecular Semiconductors Using Transient Localization Theory. T. Nematiaram, S. Ciuchi, X. Xie, S. Fratini and A. Troisi. J. Phys. Chem. C 2019, 123, 6989-6997. Also Fratini17. A Map of High-Mobility Molecular Semiconductors. S. Fratini, S. Ciuchi, D. Mayou, G. T. de Laissardière and A. Troisi. Nat. Mater. 2017, 16, 998-1002.