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JCC
2002
85views more  JCC 2002»
13 years 7 months ago
Efficiency of the multicanonical simulation method as applied to peptides of increasing size: The heptapeptide deltorphin
: The advantage of the multicanonical (MUCA) simulation method of Berg and coworkers over the conventional Metropolis method is in its ability to move a system effectively across e...
Fatih Yaar, Handan Arkin, Tarik Çelik, Bern...
JCC
2006
42views more  JCC 2006»
13 years 7 months ago
Starting SCF calculations by superposition of atomic densities
: We describe the procedure to start an SCF calculation of the general type from a sum of atomic electron densities, as implemented in GAMESS-UK. Although the procedure is well kno...
J. H. Van Lenthe, R. Zwaans, Huub J. J. Van Dam, M...
IJCAI
2007
13 years 8 months ago
Compiling Bayesian Networks by Symbolic Probability Calculation Based on Zero-Suppressed BDDs
Compiling Bayesian networks (BNs) is one of the hot topics in the area of probabilistic modeling and processing. In this paper, we propose a new method of compiling BNs into multi...
Shin-ichi Minato, Ken Satoh, Taisuke Sato
DAC
2000
ACM
14 years 8 months ago
Large-scale capacitance calculation
We describe a new method for accurate large-scale capacitance calculations. The algorithm uses an integral equation formulation, but with a new representation for charge distribut...
Sharad Kapur, David E. Long
CAD
1998
Springer
13 years 7 months ago
Tool profile and tool path calculation for free-form thick-layered fabrication
• In several application fields, large sized, free-form objects of various soft materials are widely used. Available layered prototyping technologies cannot be applied for fabri...
Imre Horváth, Joris S. M. Vergeest, Johan J...