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A comparative study between the cubic spline and b-spline interpolation methods in free energy calculations
Numerical methods are essential in computational science, as analytic calculations for large datasets are impractical. Using numerical methods, one can approximate the problem to solve it with basic arithmetic operations. Interpolation is a commonly-used method, inter alia, constructing the value of...
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| Format: | Thesis |
| Language: | English |
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Department of Chemistry
2020
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