Michael R. Shirts Citation name: Shirts, M. R. Affiliation: University of Colorado Boulder State: CO Country: USA Sessions chaired or co-chaired:Making Molecular Simulation a Mainstream Chemical Engineering Tool2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)Making Molecular Simulation a Mainstream Chemical Engineering Tool2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)Practical Applications of Computational Chemistry and Molecular Simulation2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)Authored:(189ab) Reweighting Molecular Simulation Configurations for Rapid Force Field ParameterizationRichard A. MesserlyMichael R. ShirtsS. Mostafa Razavi2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(189ah) The Influence of Pore Structure on Transport in Lyotropic Liquid Crystal MembranesBenjamin J. CosciaMichael R. Shirts2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(84d) Understanding Transport of Small Solutes in the Pores of a Nanostructured Lyotropic Liquid Crystal MembraneBenjamin J. CosciaMichael R. Shirts2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(189av) Challenging Statistical Mechanics Approximations in Organic Crystal ThermodynamicsNathan AbrahamMichael R. ShirtsEric Dybeck*2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(139b) Understanding the Effect of Changing Complexities of Potential Energy Functions on the Entropic Contribution to Free Energy Differences of Organic PolymorphsNathan AbrahamMichael R. ShirtsEric Dybeck*Natalie Schieber2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(476h) No More Histograms: Variational and Bayesian Approaches to Estimating Potentials of Mean ForceMichael R. ShirtsAndrew L. Ferguson2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(710a) The Living Journal of Computational Molecular Science: Improving Community Use of Molecular Simulation Methods through a New Publishing ModelMichael R. ShirtsDavid L. MobleyDaniel M. Zuckerman2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(194h) Molecular Interaction of DNA with Cysteamine- and Polylysine-Acetate Modified Gold Surfaces for Single Nucleobase IdentificationLesli MarkPrashant NagpalHendrik HeinzMichael R. ShirtsWill Medlin2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(1f) Physically Validating Molecular Simulation ResultsMichael R. Shirts2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(376r) Transport Mechanisms of Polar Solutes in a Cross-Linked Hii Phase Lyotropic Liquid Crystal MembraneBenjamin J. CosciaMichael R. Shirts2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(756f) Chemically Dependent Transport of Small Polar Solutes in a Cross-Linked Hii Phase Lyotropic Liquid Crystal MembraneBenjamin J. CosciaMichael R. Shirts2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(376aa) A Bayesian Approach to Model Selection and Parameterization for Non-Bonded InteractionsOwen MadinMichael R. ShirtsRichard A. Messerly2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(63e) The Open Force Field Initiative: Better Force Fields through Open, Data-Driven ScienceMichael R. ShirtsDavid L. MobleyJohn ChoderaLee-Ping WangMichael K. Gilson2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(124a) Probing the Sensitivity of Point Charge Potentials in an Attempt to Improve Their Ability to Rank the Stability of Pharmaceutical PolymorphsNathan AbrahamMichael R. Shirts2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(376ak) Building Computational Tools to Help Guide Experimentalists in the Discovery of New Solid Phases of Organic MaterialsNathan AbrahamMichael R. Shirts2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)