Spectral methods for large matrices

Methods

D. A. Drabold, O. F. Sankey, Maximum-entropy approach for linear scaling in the electronic structure problem, Phys. Rev. Lett. 70 3631 (1993).
O. F. Sankey, D. A. Drabold, A. Gibson, Projected random vectors and the recursion method in the electronic structure problem, Phys. Rev. B 50 1376 (1994).
H. Roder, R. N. Silver, Jian Jun Dong and D. A. Drabold, The Kernel Polynomial Method for a non orthogonal electronic structure calculation of amorphous diamond, Phys. Rev. B 55 15382 (1997).
P. Ordejon, D. A. Drabold, R. M. Martin, Linear Scaling Method for phonon calculations from electronic structure, Phys. Rev. Lett. 75 1324 (1995)
K.Bandyopadhyay, A.K.Bhattacharya, Parthapratim Biswas, D.A.Drabold Maximum Entropy and the Problem of Moments: a Stable Algorithm, Phys Rev E 71 057701 (2005).

D. A. Drabold, P. Ordejon, J. Dong and R. M. Martin, Spectral properties of large fullerenes: from cluster to crystal , Solid State Comm. 96 833 (1995).
J. Dong and D. A. Drabold, Band tail states and the localized to extended transition in amorphous diamond, Phys. Rev. B 54 10284 (1996).

J. Dong and D. A. Drabold, Atomistic structure of band tail states in amorphous silicon, Phys. Rev. Lett. 80 1928 (1998).
J. Dong and D. A. Drabold, Band tail states and the Anderson transition in Amorphous SIlicon, J. Non. Cryst. Sol. 227-230 153 (1998).
Y. Pan, F. Inam, M. Zhang and D. A. Drabold, Atomistic origin of Urbach tails in amorphous silicon, Phys. Rev. Lett. 100 206403 (2008).
Y. Pan, M. Zhang and D. A. Drabold, Topological and topological-electronic correlations in amorphous Si, J. Non. Cryst. Sol. 354 3480 (2008)
D. A. Drabold, Y. Li and B. Cai, Urbach tails of amorphous silicon, Phys. Rev. B 83 045201 (2011).
J. D. Morrow, C. Ugwumadu, D. A. Drabold, S. R. Elliott, A. L. Goodwin and V. L. Deringer, Understanding defects in amorphous silicon with million-atom simulations and machine learning, Agnew. Chemie e202403842 (2024) “Hot paper”. open access, here.
V. Deringer, N. Bernstein, G. Csanyi, M. Wilson, D. A. Drabold and S. R. Elliott, Structural transitions in dense disordered silicon from quantum-accurate ultra-large-scale simulations, Nature 589 59 (2021), paper here, Commentary by Paul McMillan (2021).