| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A general parallel sparse-blocked matrix multiply for linear scaling SCF theory
|
Challacombe, Matt
|
|
2000
|
128 |
1-2 |
p. 93-107
|
artikel
|
| 2 |
An MIMD strategy for quantum mechanical reactive scattering calculations
|
Volobuev, Yuri L.
|
|
2000
|
128 |
1-2 |
p. 465-476
|
artikel
|
| 3 |
A parallel Full-CI algorithm
|
Ansaloni, Roberto
|
|
2000
|
128 |
1-2 |
p. 496-515
|
artikel
|
| 4 |
Bound and quasi-bound rotation-vibrational states using massively parallel computers
|
Mussa, Hamse Y.
|
|
2000
|
128 |
1-2 |
p. 434-445
|
artikel
|
| 5 |
Computational granularity and parallel models to scale up reactive scattering calculations
|
Laganà, Antonio
|
|
2000
|
128 |
1-2 |
p. 295-314
|
artikel
|
| 6 |
Dynasol: A visual quantum dynamics package
|
Peng, Tong
|
|
2000
|
128 |
1-2 |
p. 492-495
|
artikel
|
| 7 |
Efficient parallel algorithms in global optimization of potential energy functions for peptides, proteins, and crystals
|
Lee, Jooyoung
|
|
2000
|
128 |
1-2 |
p. 399-411
|
artikel
|
| 8 |
Exploiting multiple levels of parallelism in Molecular Dynamics based calculations via modern techniques and software paradigms on distributed memory computers
|
Tuckerman, Mark E.
|
|
2000
|
128 |
1-2 |
p. 333-376
|
artikel
|
| 9 |
Fully coupled six-dimensional calculations of rovibrational eigenstates of floppy four-atom molecules
|
Bačić, Zlatko
|
|
2000
|
128 |
1-2 |
p. 46-54
|
artikel
|
| 10 |
High performance computational chemistry: An overview of NWChem a distributed parallel application
|
Kendall, Ricky A.
|
|
2000
|
128 |
1-2 |
p. 260-283
|
artikel
|
| 11 |
Index
|
|
|
2000
|
128 |
1-2 |
p. 527-530
|
artikel
|
| 12 |
Linear-scaling parallel algorithms for the first principles treatment of metals
|
Watson, Stuart C.
|
|
2000
|
128 |
1-2 |
p. 67-92
|
artikel
|
| 13 |
Metacomputing, an emerging technology?
|
Lüthi, Hans Peter
|
|
2000
|
128 |
1-2 |
p. 326-332
|
artikel
|
| 14 |
Multiresolution algorithms for massively parallel molecular dynamics simulations of nanostructured materials
|
Kalia, Rajiv K.
|
|
2000
|
128 |
1-2 |
p. 245-259
|
artikel
|
| 15 |
Multithreaded shared memory parallel implementation of the electronic structure code GAMESS
|
Bolding, Barry
|
|
2000
|
128 |
1-2 |
p. 55-66
|
artikel
|
| 16 |
Multi-threading: A new dimension to massively parallel scientific computation
|
Nielsen, Ida M.B.
|
|
2000
|
128 |
1-2 |
p. 238-244
|
artikel
|
| 17 |
New algebraic formulation of density functional calculation
|
Ismail-Beigi, Sohrab
|
|
2000
|
128 |
1-2 |
p. 1-45
|
artikel
|
| 18 |
NWChem: Exploiting parallelism in molecular simulations
|
Straatsma, T.P.
|
|
2000
|
128 |
1-2 |
p. 377-385
|
artikel
|
| 19 |
Parallel aspects of quantum molecular dynamics simulations of liquids
|
Hedman, Fredrik
|
|
2000
|
128 |
1-2 |
p. 284-294
|
artikel
|
| 20 |
Parallel atomistic simulations
|
Heffelfinger, Grant S.
|
|
2000
|
128 |
1-2 |
p. 219-237
|
artikel
|
| 21 |
Parallel calculations of molecular properties
|
Jonsson, Dan
|
|
2000
|
128 |
1-2 |
p. 412-433
|
artikel
|
| 22 |
Parallel computational studies of electron–molecule collisions
|
Winstead, Carl
|
|
2000
|
128 |
1-2 |
p. 386-398
|
artikel
|
| 23 |
Parallel computations of molecular dynamics trajectories using the stochastic path approach
|
Zaloj, Veaceslav
|
|
2000
|
128 |
1-2 |
p. 118-127
|
artikel
|
| 24 |
Parallel Fourier Path-Integral Monte Carlo calculations of absolute free energies and chemical equilibria
|
Srinivasan, Jay
|
|
2000
|
128 |
1-2 |
p. 446-464
|
artikel
|
| 25 |
Parallel implementation of a pseudo-spectral calculation of molecular energy levels: Application to the water dimer (H 2 O) 2
|
Eggert, Philip
|
|
2000
|
128 |
1-2 |
p. 315-325
|
artikel
|
| 26 |
Parallelization of SCF calculations within Q-Chem
|
Furlani, Thomas R.
|
|
2000
|
128 |
1-2 |
p. 170-177
|
artikel
|
| 27 |
Parallel molecular dynamics simulations for short-ranged many-body potentials
|
Cornwell, C.F.
|
|
2000
|
128 |
1-2 |
p. 477-491
|
artikel
|
| 28 |
Parallel molecular dynamics simulations of alkane/hydroxylated α -aluminum oxide interfaces 1 This paper is published as part of a thematic issue on Parallel Computing in Chemical Physics. 1
|
Roy, S.
|
|
2000
|
128 |
1-2 |
p. 210-218
|
artikel
|
| 29 |
Parallel spin-orbit coupled configuration interaction
|
Tilson, J.L.
|
|
2000
|
128 |
1-2 |
p. 128-138
|
artikel
|
| 30 |
Parallel strategies for four-atom quantum dynamics calculations
|
Goldfield, E.M.
|
|
2000
|
128 |
1-2 |
p. 178-189
|
artikel
|
| 31 |
Parallel tight-binding molecular dynamics simulations on symmetric multi-processing platforms 1 This paper is published as part of a thematic issue on Parallel Computing in Chemical Physics. 1
|
Colombo, Luciano
|
|
2000
|
128 |
1-2 |
p. 108-117
|
artikel
|
| 32 |
Preface
|
|
|
2000
|
128 |
1-2 |
p. xi-xii
|
artikel
|
| 33 |
Random walk beyond Hartree–Fock
|
Gubernatis, J.E.
|
|
2000
|
128 |
1-2 |
p. 201-209
|
artikel
|
| 34 |
SCELib: A parallel computational library of molecular properties in the single center approach
|
Sanna, N.
|
|
2000
|
128 |
1-2 |
p. 139-169
|
artikel
|
| 35 |
Stabilization methods for quantum mechanical resonance states of four-body systems
|
Volobuev, Yuri L.
|
|
2000
|
128 |
1-2 |
p. 516-526
|
artikel
|
| 36 |
The Distributed Data Interface in GAMESS
|
Fletcher, Graham D.
|
|
2000
|
128 |
1-2 |
p. 190-200
|
artikel
|
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