Computing machines

Metropolis N, Rosenbluth A W, Rosenbluth M N, Teller A FI and Teller E 1953 Equation of state calculations by fast computing machines J. Chem. Phys. 21 1087... 

Metropolis N, A W Rosenbluth, M N Rosenbluth, A H Teller and E Teller 1953. Equation of Sta Calculations by Fast Computing Machines. Journal of Chemical Physics 21 1087-1092. 

N Metropolis, AW Rosenhluth, MN Rosenhluth, AH Teller, E Teller. Equation of state calculations by fast computing machines. J Chem Phys 21 1087-1092, 1953. 

Equation of State Calculations by Fast Computing Machines Nicholas Metropolis, Arianna W. Rosenbluth, Marshall N. Rosenbluth, Augusta H. Teller and Edward Teller Journal of Chemical Physics 21 (1953) 1087... 

Metropolis, N., A.W. Rosenbluthh, M.N. Rosenbluth, A.H. Teller and E. Teller, "Equations of State Calculations by Fast Computing Machines", J. Chem. Physics, 21, 1087-1092 (1953). 

Metropolis N, Rosenbluth AW, Rosenbluth MN, Teller AH and Teller E (1953) Equation of State Calculations by Fast Computing Machines, J Chem Phys, 21 1087. 

Central differences were used in Equation (5.8), but forward differences or any other difference scheme would suffice as long as the step size h is selected to match the difference formula and the computer (machine) precision with which the calculations are to be executed. The main disadvantage is the error introduced by the finite differencing. 

I would like to emphasize strongly my belief that the era of computing chemists, when hundreds if not thousands of chemists will go to the computing machine instead of the laboratory for increasingly many facets of chemical information, is already at hand. ... 

Metropolis, N., Rosenbluth, M.N., Teller, A. H., and Teller, E. Equation of state calculation by fast computer machines. /. Chem. Phys. 1953, 23, 1087-1092. 

E2) N. Metropolis et al, "Equation of State Calculations by Fast Computing Machines , JChemPhys 21, 1087-92(1953) (Use of modified Monte Carlo integration and MANIAC computer are described) FjJ N.M. Blachman, "A Survey of Automatic Digital Computers , USDeptCommerce, Office of Technical Services, Washington, DC (1953) F2) M.N. Rosenbluth... 

Jorgensen, W. L. 2000. Perspective on Equation of State Calculations by Fast Computing Machines Theor. Chem. Acc., 103, 225. 

With the advent of high-speed computing machines, it is now possible to process and capture vast amounts of information from theoretical models. In... 

In this connection a more detailed account will only be given of a method that permits calculation of HMO orbital energies of a model of a heterocycle without expanding the secular determinant from the knowledge of molecular orbital energies and expansion coefficients of the parent hydrocarbon.11-15 Now that automatic computing machines are commonly used for quantum-chemical calculations we see the chief merit of the method in that it permits one to study the effect of empirical parameters on energy characteristics in a clear-cut and concise manner. 

Following is a partial list on automatic computing machines l)A.Svoboda H.M.James, Computing Mechanisms and Linkages, McGraw-Hill, NY(1948) 2)A.D.Booth K.H.Booth, "Automatic Digital Calculators, Academic Press, NY(1953) 3)W.Soroka, "Analog... 

Fig. 4. Four aluminum sections of this type make up fuel tank for aerospace vehicle. Each section is produced from computer-machined plate and weighs 4750 pounds (2155 kg). (Reynolds Metals Company)...

Two numerical examples adapted from [4,10] are supplied to demonstrate the efficacy of proposed HEN synthesis strategy. To solve this MO-MILP for the HEN model, GAMS [16] and CPLEX are used as the modeling environment and the MIP solver, respectively. The computing machine is a personal computer with an Intel Pentium IV 2.26 GHz CPU. 

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