 | 2010 |
| 5 |  | Beverly A. Sanders,
Rodney J. Bartlett,
Erik Deumens,
Victor Lotrich,
Mark Ponton:
A Block-Oriented Language and Runtime System for Tensor Algebra with Very Large Arrays.
SC 2010: 1-11 |
| 2009 |
| 4 |  | Victor Lotrich,
Norbert Flocke,
Mark Ponton,
Beverly A. Sanders,
Erik Deumens,
Rodney J. Bartlett,
Ajith Perera:
An infrastructure for scalable and portable parallel programs for computational chemistry.
ICS 2009: 523-524 |
| 2008 |
| 3 |  | Juan Torras,
Gustavo de M. Seabra,
Erik Deumens,
S. B. Trickey,
Adrian E. Roitberg:
A versatile AMBER-Gaussian QM/MM interface through PUPIL.
Journal of Computational Chemistry 29(10): 1564-1573 (2008) |
| 2007 |
| 2 |  | Juan Torras,
Yao He,
Chao Cao,
Krishna Muralidharan,
Erik Deumens,
H.-P. Cheng,
S. B. Trickey:
PUPIL: A systematic approach to software integration in multi-scale simulations.
Computer Physics Communications 177(3): 265-279 (2007) |
| 2002 |
| 1 |  | Denis Jacquemin,
Benoît Champagne,
Jean-Marie André,
Erik Deumens,
Yngve Öhrn:
Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems.
Journal of Computational Chemistry 23(15): 1430-1444 (2002) |