31 citations · 83 across the 6 of their papers we have counts for
6 papers
Enhancing the Accuracy of Density Functional Tight Binding Models Through ChIMES Many-body Interaction Potentials
Nir Goldman, Laurence E. Fried, Rebecca K. Lindsey +2
Semi-empirical quantum models such as Density Functional Tight Binding (DFTB) are attractive methods for obtaining quantum simulation data at longer time and length scales than pos…
Semi-Automated Creation of Density Functional Tight Binding Models Through Leveraging Chebyshev Polynomial-based Force Fields
Nir Goldman, Kyoung Eun Kweon, Babak Sadigh +8
Density Functional Tight Binding (DFTB) is an attractive method for accelerated quantum simulations of condensed matter due to its enhanced computational efficiency over standard D…
Crystal Structure Prediction of Molecular Crystals from First Principles: Are we there yet?
Cong Huy Pham, Emine Kucukbenli, Stefano de Gironcoli
Accurate molecular crystal structure prediction is a fundamental goal in academic and industrial condensed matter research and polymorphism is arguably the biggest obstacle on the…
Tunnelling through finite graphene superlattices: resonance splitting effect
C. Huy Pham, V. Lien Nguyen
An exact expression of the transmission probability through a finite graphene superlattice with an arbitrary number of potential barriers is derived in two cases of the periodi…
Zero and Finite Energy Dirac Points in the Energy Band Structure of Magnetic Bilayer Graphene Superlattices
C. Huy Pham, T. Thuong Nguyen, V. Lien Nguyen
Energy band structure of the bilayer graphene superlattices with -function magnetic barriers and zero average magnetic flux is studied within the four-band continuum model, usin…
Touching points in the energy band structure of bilayer graphene superlattices
C. Huy Pham, V. Lien Nguyen
Energy band structure of the bilayer graphene superlattices with zero-averaged periodic -function potentials are studied within the four-band continuum model. Using the transfer…