Free Energy Computations: A Mathematical Perspective
Saved in:
| Title: | Free Energy Computations: A Mathematical Perspective |
|---|---|
| Description: | This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of applied mathematics. Free energy calculations in molecular dynamics have become an outstanding and increasingly broad computational field in physics, chemistry and molecular biology within the past few years, by making possible the analysis of complex molecular systems. This work proposes a new, general and rigorous presentation, intended both for practitioners interested in a mathematical treatment, and for applied mathematicians interested in molecular dynamics. |
| Authors: | Mathias Rousset, Gabriel Stoltz, Tony Lelievre |
| Resource Type: | eBook. |
| Subjects: | Statistical physics--Mathematical models, Gibbs' free energy |
| Categories: | MATHEMATICS / Applied, SCIENCE / Life Sciences / Biochemistry, SCIENCE / Physics / Atomic & Molecular |
| Database: | eBook Collection (EBSCOhost) |
| Abstract: | This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of applied mathematics. Free energy calculations in molecular dynamics have become an outstanding and increasingly broad computational field in physics, chemistry and molecular biology within the past few years, by making possible the analysis of complex molecular systems. This work proposes a new, general and rigorous presentation, intended both for practitioners interested in a mathematical treatment, and for applied mathematicians interested in molecular dynamics. |
|---|---|
| ISBN: | 9781848162471 9781848162488 |
