12 projects tagged "Scientific"
HOPSPACK solves derivative-free optimization problems in a C++ software framework. The framework enables parallel operation using MPI (for distributed machine architectures) and multithreading (for single machines with multiple processors or cores). Optimization problems can be very general: functions can be noisy, nonsmooth, and nonconvex, linear and nonlinear constraints are supported, and variables may be continuous or integer-valued.
Rocket Propulsion Analysis (RPA) is a tool for the performance prediction of rocket engines. By providing a few engine parameters such as combustion chamber pressure, used propellant components, and nozzle parameters, the program obtains chemical equilibrium composition of combustion products, determines its thermodynamic properties, and predicts the theoretical rocket performance. A robust, proven, and industry-accepted Gibbs free energy minimization approach is used to obtain the combustion composition. It can perform analysis of nozzle flows with shifting and frozen chemical equilibrium, optimization of propellant components mixture ratio for maximum specific impulse of bipropellant systems, altitude performance analysis, analysis of nozzle performance with respect to overexpansion and flow separation, throttled engine performance analysis, estimation of test (actual) nozzle performance, and nested analysis: stepping of up to four independent variables (component ratio, chamber pressure, nozzle inlet conditions, and nozzle exit conditions).
Voynex calculator is a Web browser application designed to evaluate mathematical and JavaScript expressions. The main difference between it and other calculators is that it is possible to enter the whole expression at once instead of entering it step by step. For example, it can evaluate expressions like, "sin(sqrt(PI/3)+sqrt(PI/5))+cos(PI/2+1)", "x=pow(4,5)+3; 3*x+log(x)", or "0xff07+0x1c04*(0x45+0x55>>1)". The power of the JavaScript language itself is used to evaluate expressions of arbitrary complexity. It offers a wide set of mathematical functions to calculate trigonometrical, logarithmic, and other expressions.
iNA is a computational tool for quantitative analysis of fluctuations in biochemical reaction networks. Such fluctuations, also known as intrinsic noise, arise due to the stochastic nature of chemical reactions and cannot be ignored for when some molecules are present only in very low copy numbers as is the case in living cells. The SBML-based software computes statistical measures such as means and standard deviations of concentrations within a given accuracy using the analytical system size expansion. The result of iNA’s analysis can be tested against the computationally much more expensive stochastic simulation algorithm.
relax is a program designed for the study of the dynamics of proteins or other macromolecules though the analysis of NMR relaxation experiments. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, and the investigation of stereochemistry.