Matches in SemOpenAlex for { <https://semopenalex.org/work/W2912807874> ?p ?o ?g. }
- W2912807874 endingPage "786" @default.
- W2912807874 startingPage "755" @default.
- W2912807874 abstract "Molecular modeling and simulations are invaluable tools for the polymer science and engineering community. These computational approaches enable predictions and provide explanations of experimentally observed macromolecular structure, dynamics, thermodynamics, and microscopic and macroscopic material properties. With recent advances in computing power, polymer simulations can synergistically inform, guide, and complement in vitro macromolecular materials design and discovery efforts. To ensure that this growing power of simulations is harnessed correctly, and meaningful results are achieved, care must be taken to ensure the validity and reproducibility of these simulations. With these considerations in mind, in this Perspective we discuss our philosophy for carefully developing or selecting appropriate models, performing, and analyzing polymer simulations. We highlight best practices, key challenges, and important advances in model development/selection, computational method choices, advanced sampling met..." @default.
- W2912807874 created "2019-02-21" @default.
- W2912807874 creator A5008345084 @default.
- W2912807874 creator A5035390724 @default.
- W2912807874 date "2019-01-22" @default.
- W2912807874 modified "2023-10-13" @default.
- W2912807874 title "Modeling and Simulations of Polymers: A Roadmap" @default.
- W2912807874 cites W1106846113 @default.
- W2912807874 cites W128177090 @default.
- W2912807874 cites W1482093616 @default.
- W2912807874 cites W1512333366 @default.
- W2912807874 cites W1513236357 @default.
- W2912807874 cites W1519815927 @default.
- W2912807874 cites W1542579814 @default.
- W2912807874 cites W1551220465 @default.
- W2912807874 cites W1558311367 @default.
- W2912807874 cites W1579521314 @default.
- W2912807874 cites W1601158172 @default.
- W2912807874 cites W180363102 @default.
- W2912807874 cites W1878162051 @default.
- W2912807874 cites W1964758803 @default.
- W2912807874 cites W1964774253 @default.
- W2912807874 cites W1965167758 @default.
- W2912807874 cites W1965357309 @default.
- W2912807874 cites W1965451374 @default.
- W2912807874 cites W1965700772 @default.
- W2912807874 cites W1966763954 @default.
- W2912807874 cites W1969367867 @default.
- W2912807874 cites W1970615135 @default.
- W2912807874 cites W1970897635 @default.
- W2912807874 cites W1971232585 @default.
- W2912807874 cites W1971235923 @default.
- W2912807874 cites W1972149909 @default.
- W2912807874 cites W1972326545 @default.
- W2912807874 cites W1972337026 @default.
- W2912807874 cites W1972707029 @default.
- W2912807874 cites W1972839841 @default.
- W2912807874 cites W1974114013 @default.
- W2912807874 cites W1974503729 @default.
- W2912807874 cites W1974716751 @default.
- W2912807874 cites W1975118992 @default.
- W2912807874 cites W1975738348 @default.
- W2912807874 cites W1976308393 @default.
- W2912807874 cites W1976499671 @default.
- W2912807874 cites W1976529631 @default.
- W2912807874 cites W1976846652 @default.
- W2912807874 cites W1977133821 @default.
- W2912807874 cites W1977210808 @default.
- W2912807874 cites W1977249424 @default.
- W2912807874 cites W1977623439 @default.
- W2912807874 cites W1977859089 @default.
- W2912807874 cites W1978261861 @default.
- W2912807874 cites W1978713033 @default.
- W2912807874 cites W1979444720 @default.
- W2912807874 cites W1981021420 @default.
- W2912807874 cites W1982246384 @default.
- W2912807874 cites W1982885748 @default.
- W2912807874 cites W1984290676 @default.
- W2912807874 cites W1985087213 @default.
- W2912807874 cites W1986302333 @default.
- W2912807874 cites W1986521945 @default.
- W2912807874 cites W1986614779 @default.
- W2912807874 cites W1987245153 @default.
- W2912807874 cites W1987348015 @default.
- W2912807874 cites W1988100658 @default.
- W2912807874 cites W1988828777 @default.
- W2912807874 cites W1989023734 @default.
- W2912807874 cites W1990342632 @default.
- W2912807874 cites W1991641757 @default.
- W2912807874 cites W1991796766 @default.
- W2912807874 cites W1993085892 @default.
- W2912807874 cites W1993177346 @default.
- W2912807874 cites W1993574168 @default.
- W2912807874 cites W1994432168 @default.
- W2912807874 cites W1994564986 @default.
- W2912807874 cites W1995383406 @default.
- W2912807874 cites W1995816895 @default.
- W2912807874 cites W1995999462 @default.
- W2912807874 cites W1996117413 @default.
- W2912807874 cites W1996566899 @default.
- W2912807874 cites W1997461287 @default.
- W2912807874 cites W1997472565 @default.
- W2912807874 cites W1997490606 @default.
- W2912807874 cites W1997566169 @default.
- W2912807874 cites W1998137558 @default.
- W2912807874 cites W1998299443 @default.
- W2912807874 cites W1999277179 @default.
- W2912807874 cites W1999281737 @default.
- W2912807874 cites W2003225059 @default.
- W2912807874 cites W2003317113 @default.
- W2912807874 cites W2003582562 @default.
- W2912807874 cites W2003949305 @default.
- W2912807874 cites W2004369921 @default.
- W2912807874 cites W2004769363 @default.
- W2912807874 cites W2004872371 @default.
- W2912807874 cites W2005245447 @default.
- W2912807874 cites W2007535564 @default.
- W2912807874 cites W2007762620 @default.