235 search results - page 3 / 47 » Mathscape and molecular integrals |
ICCAD
2006
IEEE
15 years 8 months ago
2006
IEEE
Electronic energy disorder associated within amorphous and polycrystaline molecular organic thin film structures strongly affects the macroscopic observable behavior of organic fi...
JCC
2002
14 years 11 months ago
2002
: Presented in the context of classical molecular mechanics and dynamics are multilevel summation methods for the fast calculation of energies/forces for pairwise interactions, whi...
108
Voted
PACT
2001
Springer
15 years 4 months ago
2001
Springer
UNICORE (UNiform Interface to COmputer REsources) provides a seamless and secure access to distributed supercomputer resources. This paper will give an overview of the its architec...
VISUALIZATION
2002
IEEE
15 years 4 months ago
2002
IEEE
The bioactivity of a molecule strongly depends on its metastable conformational shapes and the transitions between these. Therefore, conformation analysis and visualization is a b...
80
Voted
FCCM
2007
IEEE
15 years 6 months ago
2007
IEEE
Abstract: FPGA-based acceleration of molecular dynamics (MD) has been the subject of several recent studies. Implementing long-range forces, however, has only recently been address...