Contains the keyword large systems

Talamudupula SK, Sosonkina M, Gaenko A, Schmidt MW. Fragment Molecular Orbital Method Adaptations for Heterogeneous Computing Platforms. In: Ali H, Shi Y, Khazanchi D, Lees M, VanAlbada GD, Dongarra J et al., editors. Proceedings of the International Conference on Computational Science, ICCS 2012. Vol 9. Amsterdam: Elsevier Science Bv; 2012. p. 489-97. (Procedia Computer Science; vol 9). Abstract

Brorsen KR, Minezawa N, Xu F, Windus TL, Gordon MS. Fragment Molecular Orbital Molecular Dynamics with the Fully Analytic Energy Gradient. J Chem Theory Comput. 2012;8:5008-12. Abstract

Nagata T, Fedorov DG, Sawada T, Kitaura K, Gordon MS. A combined effective fragment potential-fragment molecular orbital method. II. Analytic gradient and application to the geometry optimization of solvated tetraglycine and chignolin. J Chem Phys. 2011;134:034110. Abstract

Nagata T, Brorsen K, Fedorov DG, Kitaura K, Gordon MS. Fully analytic energy gradient in the fragment molecular orbital method. J Chem PhysJ Chem Phys. 2011;134:124115 . Abstract