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Efficient free-energy calculations by the simulation of nonequilibrium processes
May/June 2000 (vol. 2 no. 3)
pp. 88-96
Along with the impressive progress of computer technology over the past three decades, computational physics has evolved into a dynamic discipline that plays an important role in many different fields. Its contribution has been particularly profound in the areas of condensed-matter physics, chemistry, and materials science, where most problems involve complex many-body systems. In the overwhelming majority of cases it is impossible to obtain analytical solutions to these problems, and numerical techniques are generally the only realistic option.
Citation:
Maurice de Koning, Wei Cai, Alex Antonelli, Sidney Yip, "Efficient free-energy calculations by the simulation of nonequilibrium processes," Computing in Science and Engineering, vol. 2, no. 3, pp. 88-96, May-June 2000, doi:10.1109/5992.841802
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