TY - STD TI - Noid WG (2013) Perspective: coarse-grained models for biomolecular systems. J Chem Phys 139: 090901. ID - ref1 ER - TY - JOUR AU - Li, Y. AU - Abberton, B. C. AU - Kroger, M. AU - Liu, W. K. PY - 2013 DA - 2013// TI - Challenges in multiscale modeling of polymer dynamics JO - Polymers VL - 5 UR - https://doi.org/10.3390/polym5020751 DO - 10.3390/polym5020751 ID - Li2013 ER - TY - JOUR AU - Farrell, K. AU - Oden, J. T. PY - 2014 DA - 2014// TI - Calibration and validation of coarse-grained models of atomic systems: Application to semiconductor manufacturing JO - Comput Mech VL - 54 UR - https://doi.org/10.1007/s00466-014-1028-y DO - 10.1007/s00466-014-1028-y ID - Farrell2014 ER - TY - JOUR AU - Oden, J. T. AU - Prudhomme, S. PY - 2002 DA - 2002// TI - Estimation of modeling error in computational mechanics JO - J Comput Phys VL - 182 UR - https://doi.org/10.1006/jcph.2002.7183 DO - 10.1006/jcph.2002.7183 ID - Oden2002 ER - TY - JOUR AU - Oden, J. T. AU - Prudhomme, S. AU - Romkes, A. AU - Bauman, P. T. PY - 2006 DA - 2006// TI - Multiscale modeling of physical phenomena: adaptive control of models JO - SIAM J Sci Comput VL - 28 UR - https://doi.org/10.1137/050632488 DO - 10.1137/050632488 ID - Oden2006 ER - TY - JOUR AU - Shannon, C. E. PY - 1948 DA - 1948// TI - A mathematical theory of communication JO - Bell Syst Tech J VL - 27 UR - https://doi.org/10.1002/j.1538-7305.1948.tb01338.x DO - 10.1002/j.1538-7305.1948.tb01338.x ID - Shannon1948 ER - TY - CHAP AU - Kleijn, B. J. K. AU - van der Vaart, A. ED - Mikosch, T. ED - Janzura, M. PY - 2002 DA - 2002// TI - The asymptotics of misspecified bayesian statistics BT - Proceedings of the 24th European Meeting of Statisticians PB - Prague CY - Czech Republic ID - Kleijn2002 ER - TY - JOUR AU - Jorgensen, W. L. AU - Tirado-Rives, J. PY - 1988 DA - 1988// TI - The OPLS potential functions for proteins. Energy minimizations for crystals of cyclic peptides and crambin JO - J Am Chem Soc VL - 110 UR - https://doi.org/10.1021/ja00214a001 DO - 10.1021/ja00214a001 ID - Jorgensen1988 ER - TY - JOUR AU - Jorgensen, W. L. AU - Maxwell, D. S. AU - Tirado-Rives, J. PY - 1996 DA - 1996// TI - Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids JO - J Am Chem Soc VL - 118 UR - https://doi.org/10.1021/ja9621760 DO - 10.1021/ja9621760 ID - Jorgensen1996 ER - TY - BOOK AU - Frenkel, D. AU - Smit, B. PY - 2001 DA - 2001// TI - Understanding molecular simulation: from Algorithms to applications, Computational science PB - Academic Press CY - San Diego ID - Frenkel2001 ER - TY - BOOK AU - Haile, J. M. PY - 1997 DA - 1997// TI - Molecular dynamics simulation PB - John Wiley and Sons CY - NY ID - Haile1997 ER - TY - BOOK AU - Jaynes, E. T. PY - 2003 DA - 2003// TI - Probability theory: the logic of science PB - Cambridge University Press CY - Cambridge UR - https://doi.org/10.1017/CBO9780511790423 DO - 10.1017/CBO9780511790423 ID - Jaynes2003 ER - TY - STD TI - Shell MS (2008) The relative entropy is fundamental to multiscale and inverse thermodynamic problems. J Chem Phys 129(14): 144108. ID - ref13 ER - TY - STD TI - Geyer CJ (2003). 5601 Notes: the sandwich estimator. School of Statistics, University of Minnesota. ID - ref14 ER - TY - JOUR AU - Freedman, D. A. PY - 2006 DA - 2006// TI - On the so-called “Huber sandwich estimator” and “robust standard errors” JO - Am Stat VL - 34 UR - https://doi.org/10.1198/000313006X152207 DO - 10.1198/000313006X152207 ID - Freedman2006 ER - TY - STD TI - Nickl R (2012). sTATISTICAL THEORY. Statistical Laboratory, Department of Pure Mathematics and Mathematical Statistics, University of Cambridge. ID - ref16 ER - TY - STD TI - Kleijn BJK (2004). Bayesian asymptotics under misspecification. PhD thesis, Free University Amsterdam. ID - ref17 ER - TY - JOUR AU - Beck, J. L. AU - Yuan, K. -. V. PY - 2004 DA - 2004// TI - Model selection using response measurements: Bayesian probabilistic approach JO - J Eng Mech VL - 130 UR - https://doi.org/10.1061/(ASCE)0733-9399(2004)130:2(192) DO - 10.1061/(ASCE)0733-9399(2004)130:2(192) ID - Beck2004 ER - TY - JOUR AU - Kleijn, B. J. K. PY - 2012 DA - 2012// TI - van der Vaart AW (2012) The Bernstein-von-Mises theorem under misspecification JO - Electronic J Stat VL - 6 UR - https://doi.org/10.1214/12-EJS675 DO - 10.1214/12-EJS675 ID - Kleijn2012 ER - TY - JOUR AU - Farrell, K. AU - Oden, J. T. AU - Faghihi, D. PY - 2015 DA - 2015// TI - A Bayesian framework for adaptive selection, calibration, and validation of coarse-grained models of atomistic systems JO - J Comput Phys VL - 295 UR - https://doi.org/10.1016/j.jcp.2015.03.071 DO - 10.1016/j.jcp.2015.03.071 ID - Farrell2015 ER - TY - JOUR AU - Becker, R. AU - Rannacher, R. PY - 2001 DA - 2001// TI - An optimal control approach to a posteriori error estimation in finite element methods JO - Acta Numerica VL - 10 UR - https://doi.org/10.1017/S0962492901000010 DO - 10.1017/S0962492901000010 ID - Becker2001 ER -