@article{guha_idolor_berkowitz_pasquinelli_grace_2021, title={Exploring secondary interactions and the role of temperature in moisture-contaminated polymer networks through molecular simulations}, DOI={10.1039/D0SM02009E}, journal={Soft Matter}, publisher={Royal Society of Chemistry (RSC)}, author={Guha, Rishabh D. and Idolor, Ogheneovo and Berkowitz, Katherine and Pasquinelli, Melissa and Grace, Landon R.}, year={2021} }
 @article{kareem_rahmani_hyman_keller_pasquinelli_savin_grayson_2021, title={Solution size variation of linear and dendritic bis-MPA analogs using DOSY-1H NMR}, DOI={10.1039/D0PY01070G}, journal={Polymer Chemistry}, publisher={Royal Society of Chemistry (RSC)}, author={Kareem, Oluwapelumi O. and Rahmani, Farzin and Hyman, Jason A. and Keller, Christopher B. and Pasquinelli, Melissa A. and Savin, Daniel A. and Grayson, Scott M.}, year={2021} }
 @inbook{bioresorbable polymers for surgical suture applications_2020, DOI={10.1016/b978-0-12-803581-8.11667-4}, booktitle={Encyclopedia of Renewable and Sustainable Materials}, year={2020} }
 @article{interfacial characteristics of carbon nanotube-polyimide nanocomposite by molecular dynamics simulation_2020, DOI={10.1515/ntrev-2020-0012}, journal={Nanotechnology Reviews}, year={2020}, month={Mar} }
 @article{yan_tuhin_sadler_smith_pasquinelli_spontak_2020, title={Network topology and stability of homologous multiblock copolymer physical gels}, DOI={10.1063/5.0028136}, journal={The Journal of Chemical Physics}, author={Yan, Jiaqi and Tuhin, Mohammad O. and Sadler, J. David and Smith, Steven D. and Pasquinelli, Melissa A. and Spontak, Richard J.}, year={2020}, month={Sep} }
 @article{zhang_zane_chen_yildirim_hinks_tonelli_vinueza_pasquinelli_2020, title={Physical Characterization of Inclusion Complexes of Triphenyl Phosphate and Cyclodextrins in Solution}, volume={1}, DOI={10.1021/acs.jpcb.9b09029}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Zhang, Nanshan and Zane, Cody P. and Chen, Yufei and Yildirim, Erol and Hinks, David and Tonelli, Alan E. and Vinueza, Nelson R. and Pasquinelli, Melissa A.}, year={2020}, month={Jan} }
 @article{barnes_jenkins_stein_mathers_wicaksana_pasquinelli_savin_2020, title={Synthesis and Characterization of a Leucine-Based Block Co-Polypeptide: The Effect of the Leucine Zipper on Self-Assembly}, volume={5}, DOI={10.1021/acs.biomac.0c00420}, journal={Biomacromolecules}, publisher={American Chemical Society (ACS)}, author={Barnes, Brooke E. and Jenkins, Taylor A. and Stein, Lauren M. and Mathers, Robert T. and Wicaksana, Masita and Pasquinelli, Melissa A. and Savin, Daniel A.}, year={2020}, month={Jun} }
 @article{arangdad_yildirim_detwiler_cleven_burk_shamey_pasquinelli_freeman_el-shafei_2020, title={X-ray photoelectron spectroscopy study on the photodegradation of copolyester model compounds}, ISBN={1097-4628}, DOI={10.1002/app.49661}, journal={JOURNAL OF APPLIED POLYMER SCIENCE}, author={Arangdad, Kiarash and Yildirim, Erol and Detwiler, Andrew and Cleven, Curtis D. and Burk, Christopher and Shamey, Renzo and Pasquinelli, Melissa A. and Freeman, Harold and El-Shafei, Ahmed}, year={2020} }
 @article{zhang_yildirim_zane_shen_vinueza_hinks_tonelli_pasquinelli_2019, title={Improved Eco-Friendliness of a Common Flame Retardant through Inclusion Complexation with Cyclodextrins}, volume={10}, DOI={10.1021/acsapm.9b00708}, journal={ACS Applied Polymer Materials}, publisher={American Chemical Society (ACS)}, author={Zhang, Nanshan and Yildirim, Erol and Zane, Cody P. and Shen, Jialong and Vinueza, Nelson and Hinks, David and Tonelli, Alan E. and Pasquinelli, Melissa A.}, year={2019}, month={Oct} }
 @article{arangdad_yildirim_detwiler_cleven_burk_shamey_pasquinelli_freeman_el-shafei_2019, title={Influence of UV stabilizers on the weathering of PETG and PCTT films}, ISBN={1097-4628}, DOI={10.1002/app.48198}, journal={JOURNAL OF APPLIED POLYMER SCIENCE}, author={Arangdad, Kiarash and Yildirim, Erol and Detwiler, Andrew and Cleven, Curtis D. and Burk, Christopher and Shamey, Renzo and Pasquinelli, Melissa A. and Freeman, Harold S. and El-Shafei, Ahmed}, year={2019} }
 @article{arangdad_detwiler_cleven_burk_shamey_pasquinelli_freeman_el-shafei_2019, title={Photodegradation of copolyester films: A mechanistic study}, volume={10}, DOI={10.1002/app.47148}, journal={Journal of Applied Polymer Science}, publisher={Wiley}, author={Arangdad, Kiarash and Detwiler, Andrew and Cleven, Curtis D. and Burk, Christopher and Shamey, Renzo and Pasquinelli, Melissa A. and Freeman, Harold and El-Shafei, Ahmed}, year={2019}, month={Mar}, pages={47148} }
 @article{shen_yildirim_li_caydamli_pasquinelli_tonelli_2019, title={Role of Local Polymer Conformations on the Diverging Glass Transition Temperatures and Dynamic Fragilities of Isotactic-, Syndiotactic-, and Atactic-Poly(methyl methacrylate)s}, volume={5}, DOI={10.1021/acs.macromol.9b00434}, journal={Macromolecules}, publisher={American Chemical Society (ACS)}, author={Shen, Jialong and Yildirim, Erol and Li, Shanshan and Caydamli, Yavuz and Pasquinelli, Melissa A. and Tonelli, Alan E.}, year={2019}, month={May} }
 @article{tuhin_woloszczuk_mineart_pasquinelli_sadler_smith_banaszak_spontak_2018, title={Communication: Molecular-level description of constrained chain topologies in multiblock copolymer gel networks}, volume={148}, DOI={10.1063/1.5037231}, number={23}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Tuhin, Mohammad O. and Woloszczuk, Sebastian and Mineart, Kenneth P. and Pasquinelli, Melissa A. and Sadler, J. David and Smith, Steven D. and Banaszak, Michal and Spontak, Richard J.}, year={2018}, month={Jun}, pages={231101} }
 @article{tuhin_ryan_sadler_han_lee_smith_pasquinelli_spontak_2018, title={Microphase-Separated Morphologies and Molecular Network Topologies in Multiblock Copolymer Gels}, volume={51}, DOI={10.1021/acs.macromol.8b00853}, number={14}, journal={Macromolecules}, publisher={American Chemical Society (ACS)}, author={Tuhin, Mohammad O. and Ryan, Justin J. and Sadler, J. David and Han, Zexiang and Lee, Byeongdu and Smith, Steven D. and Pasquinelli, Melissa A. and Spontak, Richard J.}, year={2018}, month={Jul}, pages={5173–5181} }
 @article{turgut_tuhin_toprakci_pasquinelli_spontak_toprakci_2018, title={Thermoplastic Elastomer Systems Containing Carbon Nanofibers as Soft Piezoresistive Sensors}, volume={3}, DOI={10.1021/acsomega.8b01740}, number={10}, journal={ACS OMEGA}, author={Turgut, Ayse and Tuhin, Mohammad O. and Toprakci, Ozan and Pasquinelli, Melissa and Spontak, Richard and Toprakci, Hatice A. K.}, year={2018}, pages={12648–12657} }
 @article{woloszczuk_tuhin_gade_pasquinelli_banaszak_spontak_2017, title={Complex phase behavior and network characteristics of midblock-solvated triblock copolymers as physically cross-linked soft materials}, volume={9}, DOI={10.1021/acsami.7b14298}, number={46}, journal={ACS Applied Materials & Interfaces}, author={Woloszczuk, S. and Tuhin, M. O. and Gade, S. R. and Pasquinelli, Melissa and Banaszak, M. and Spontak, Richard}, year={2017}, pages={39940–39944} }
 @inproceedings{vaid_pasquinelli_king_2017, place={Stuggart, Germany}, title={Integrating Experiments and MD Simulations to Determine Degradation of Poly-4-Hydroxybutyrate (P4HB) For Surgical Suture Applications}, booktitle={Proceedings of the Technical Medical Textiles Conference}, author={Vaid, R. and Pasquinelli, M.A. and King, M.W.}, year={2017}, month={Nov} }
 @article{caydamli_yildirim_shen_fang_pasquinelli_spontak_tonelli_2017, title={Nanoscale considerations responsible for diverse macroscopic phase behavior in monosubstituted isobutyl-POSS/poly(ethylene oxide) blends}, volume={13}, DOI={10.1039/c7sm01788j}, number={46}, journal={Soft Matter}, publisher={Royal Society of Chemistry (RSC)}, author={Caydamli, Yavuz and Yildirim, Erol and Shen, Jialong and Fang, Xiaomeng and Pasquinelli, Melissa A. and Spontak, Richard J. and Tonelli, Alan E.}, year={2017}, pages={8672–8677} }
 @article{chirag_melissa_martin_2016, title={Combined experimental and computational study of process-property relationships for bioabsorbable polymers}, volume={4}, DOI={10.3389/conf.fbioe.2016.01.02680}, journal={Front. Bioeng. Biotechnol.}, publisher={Frontiers Media SA}, author={Chirag, Gajjar and Melissa, Pasquinelli and Martin, King}, year={2016} }
 @inproceedings{zane_pasquinelli_vinueza_chen_hinks_zhang_yildirim_tonelli_2016, title={Flame retardants: New approaches to reduce exposure}, volume={252}, booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY}, author={Zane, Cody and Pasquinelli, Melissa and Vinueza, Nelson and Chen, Yufei and Hinks, David and Zhang, Nanshan and Yildirim, Erol and Tonelli, Alan}, year={2016} }
 @article{zhu_yildirim_aly_shen_chen_lu_jiang_kim_tonelli_pasquinelli_et al._2016, title={Hierarchical multi-component nanofiber separators for lithium polysulfide capture in lithium--sulfur batteries: an experimental and molecular modeling study}, volume={4}, DOI={10.1039/c6ta04577d}, number={35}, journal={Journal of Materials Chemistry A}, publisher={Royal Society of Chemistry}, author={Zhu, Jiadeng and Yildirim, Erol and Aly, Karim and Shen, Jialong and Chen, Chen and Lu, Yao and Jiang, Mengjin and Kim, David and Tonelli, Alan E. and Pasquinelli, Melissa A. and et al.}, year={2016}, pages={13572–13581} }
 @article{hanson_hofmann_pasquinelli_2016, title={Influence of Copolyester Composition on Adhesion to Soda-Lime Glass via Molecular Dynamics Simulations}, volume={8}, DOI={10.1021/acsami.6b01851}, number={21}, journal={ACS Applied Materials and Interfaces}, publisher={American Chemical Society}, author={Hanson, Ben and Hofmann, John and Pasquinelli, Melissa A.}, year={2016}, pages={13583–13589} }
 @article{tallury_pourdeyhimi_pasquinelli_spontak_2016, title={Macromol. Rapid Commun. 22/2016}, volume={37}, DOI={10.1002/marc.201670085}, number={22}, journal={Macromolecular Rapid Communications}, publisher={Wiley-Blackwell}, author={Tallury, Syamal S. and Pourdeyhimi, Behnam and Pasquinelli, Melissa A. and Spontak, Richard J.}, year={2016}, month={Nov}, pages={1785–1785} }
 @article{pasquinelli_yingling_2016, title={Molecular Dynamics Simulations of Nano-biomaterials}, DOI={10.1007/978-94-017-9780-1_402}, journal={Encyclopedia of Nanotechnology}, publisher={Springer Nature}, author={Pasquinelli, Melissa A. and Yingling, Yaroslava G.}, year={2016}, pages={2260–2269} }
 @article{deshmukh_hanson_jiang_pasquinelli_2016, title={Perspectives on the Use of Molecular Dynamics Simulations to Characterize Filler-Matrix Adhesion and Nanocomposite Mechanical Properties}, journal={Interface/Interphase in Polymer Nanocomposites}, publisher={John Wiley & Sons, Inc.}, author={Deshmukh, Sanket A and Hanson, Benjamin J and Jiang, Qian and Pasquinelli, Melissa A}, year={2016}, pages={379–411} }
 @article{tallury_pourdeyhimi_pasquinelli_spontak_2016, title={Physical Microfabrication of Shape-Memory Polymer Systems via Bicomponent Fiber Spinning}, volume={37}, DOI={10.1002/marc.201600235}, number={22}, journal={Macromolecular Rapid Communications}, publisher={Wiley-Blackwell}, author={Tallury, Syamal S. and Pourdeyhimi, Behnam and Pasquinelli, Melissa A. and Spontak, Richard J.}, year={2016}, pages={1837–1843} }
 @inproceedings{yildirim_abolins_detwiler_cleven_freeman_el shafei_pasquinelli_2016, title={Role of chemical structure on the alkaline hydrolysis of industrially-relevant copolyester model compounds}, volume={252}, booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY}, author={Yildirim, Erol and Abolins, Brendan and Detwiler, Andrew and Cleven, Curt and Freeman, Harold and El Shafei, Ahmed and Pasquinelli, Melissa}, year={2016} }
 @article{yildirim_dakshinamoorthy_peretic_pasquinelli_mathers_2016, title={Synthetic Design of Polyester Electrolytes Guided by Hydrophobicity Calculations}, volume={49}, DOI={10.1021/acs.macromol.6b01452}, number={20}, journal={Macromolecules}, publisher={American Chemical Society}, author={Yildirim, Erol and Dakshinamoorthy, Deivasagayam and Peretic, Matthew J. and Pasquinelli, Melissa A. and Mathers, Robert T.}, year={2016}, pages={7868–7876} }
 @inproceedings{zhang_shen_pasquinelli_hinks_tonelli_2015, place={Geelong, Australia}, title={Design of Safer Flame Retardant Textiles through Inclusion Complex Formation with Cyclodextrins}, booktitle={Proceedings of the Asian Textiles Conference 13}, author={Zhang, N. and Shen, J. and Pasquinelli, M.A. and Hinks, D. and Tonelli, A.E.}, year={2015}, month={Nov} }
 @article{zhang_shen_pasquinelli_hinks_tonelli_2015, title={Formation and characterization of an inclusion complex of triphenyl phosphate and β-cyclodextrin and its use as a flame retardant for polyethylene terephthalate}, volume={120}, DOI={10.1016/j.polymdegradstab.2015.07.014}, journal={Polymer Degradation and Stability}, publisher={Elsevier BV}, author={Zhang, Nanshan and Shen, Jialong and Pasquinelli, Melissa A. and Hinks, David and Tonelli, Alan E.}, year={2015}, pages={244–250} }
 @inproceedings{pasquinelli_jiang_moo-young_2015, place={Raleigh, NC}, title={Interfacial Characteristics of Polymer Nanocomposites via Molecular Dynamics Simulations}, booktitle={Texcomp-12 International Conference Proceedings}, author={Pasquinelli, M.A. and Jiang, Q. and Moo-Young, J.}, year={2015}, month={May} }
 @inproceedings{pasquinelli_tallury_pordeyhimi_spontak_2015, title={Molecular design of shape-memory polymer fibers that are thermally responsive}, booktitle={Fiber Society 2015 Fall Meeting and Technical Conference - Fibers: Where Tradition Meets Innovation}, author={Pasquinelli, M.A. and Tallury, S.S. and Pordeyhimi, B. and Spontak, R.J.}, year={2015} }
 @inproceedings{hanson_ray_pasquinelli_2015, title={Molecular dynamics study on the influence of copolyeseter composition on adhesion with soda-lime glass}, volume={249}, booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY}, author={Hanson, Ben and Ray, Jacob and Pasquinelli, Melissa}, year={2015} }
 @article{tallury_pasquinelli_spontak_pourdeyhimi_2015, title={Multicomponent fibers capable of thermally induced shape recovery and the making thereof}, note={US Patent App. 14/433,317}, author={Tallury, Syamal S and Pasquinelli, Melissa A and Spontak, Richard J and Pourdeyhimi, Benham A}, year={2015}, month={Sep} }
 @inproceedings{cheema_yildrim_arangdad_burk_cleven_detwiler_shamey_pasquinelli_freeman_el-shafei_2015, title={Photo-aging of modified PET-based model compounds}, booktitle={Fiber Society 2015 Fall Meeting and Technical Conference - Fibers: Where Tradition Meets Innovation}, author={Cheema, H. and Yildrim, E. and Arangdad, K. and Burk, C. and Cleven, C. and Detwiler, A. and Shamey, R. and Pasquinelli, M. and Freeman, H. and El-Shafei, A.}, year={2015} }
 @article{magenau_richards_pasquinelli_savin_mathers_2015, title={Systematic Insights from Medicinal Chemistry To Discern the Nature of Polymer Hydrophobicity}, volume={48}, DOI={10.1021/acs.macromol.5b01758}, number={19}, journal={Macromolecules}, publisher={American Chemical Society (ACS)}, author={Magenau, Andrew J. D. and Richards, Jeffrey A. and Pasquinelli, Melissa A. and Savin, Daniel A. and Mathers, Robert T.}, year={2015}, pages={7230–7236} }
 @article{tallury_mineart_woloszczuk_williams_thompson_pasquinelli_banaszak_spontak_2014, title={Communication: Molecular-level insights into asymmetric triblock copolymers: Network and phase development}, volume={141}, DOI={10.1063/1.4896612}, number={12}, journal={Journal of Chemical Physics}, publisher={AIP Publishing}, author={Tallury, Syamal S. and Mineart, Kenneth P. and Woloszczuk, Sebastian and Williams, David N. and Thompson, Russell B. and Pasquinelli, Melissa A. and Banaszak, Michal and Spontak, Richard J.}, year={2014}, pages={121103} }
 @article{tallury_mineart_woloszczuk_williams_thompson_pasquinelli_banaszak_spontak_2014, title={Communication: Molecular-level insights into asymmetric triblock copolymers: Network and phase development}, publisher={AIP}, author={Tallury, Syamal S and Mineart, Kenneth P and Woloszczuk, Sebastian and Williams, David N and Thompson, Russell B and Pasquinelli, Melissa A and Banaszak, Michal and Spontak, Richard J}, year={2014} }
 @article{liu_moo-young_mcinnis_pasquinelli_zhai_2014, title={Conjugated polymer assemblies on carbon nanotubes}, volume={47}, DOI={10.1021/ma401609q}, number={2}, journal={Macromolecules}, publisher={American Chemical Society}, author={Liu, Jianhua and Moo-Young, Joseph and McInnis, Matthew and Pasquinelli, Melissa A. and Zhai, Lei}, year={2014}, pages={705–712} }
 @article{tallury_spontak_pasquinelli_2014, title={Dissipative particle dynamics of triblock copolymer melts: A midblock conformational study at moderate segregation}, volume={141}, DOI={10.1063/1.4904388}, number={24}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Tallury, Syamal S. and Spontak, Richard J. and Pasquinelli, Melissa A.}, year={2014}, month={Dec}, pages={244911} }
 @article{chen_fiber_university_raleigh_usa._hanson_pasquinelli_2014, title={Molecular Dynamics Simulations for Predicting Surface Wetting}, volume={1}, DOI={10.3934/matersci.2014.2.121}, number={2}, journal={AIMS Materials Science}, publisher={American Institute of Mathematical Sciences (AIMS)}, author={Chen, Jing and Fiber and University, North Carolina State and Raleigh and USA. and Hanson, Ben J. and Pasquinelli, Melissa A.}, year={2014}, pages={121–131} }
 @article{chen_fiber_university_raleigh_usa._hanson_pasquinelli_2014, title={Molecular Dynamics Simulations for Predicting Surface Wetting}, volume={1}, DOI={10.3934/matersci.2014.1.121}, number={2}, journal={AIMS Materials Science}, publisher={American Institute of Mathematical Sciences (AIMS)}, author={Chen, Jing and Fiber and University, North Carolina State and Raleigh and USA. and Hanson, Ben J. and Pasquinelli, Melissa A.}, year={2014}, pages={121–131} }
 @article{quddus_rojas_pasquinelli_2014, title={Molecular dynamics simulations of the adhesion of a thin annealed film of oleic acid onto crystalline cellulose}, volume={15}, DOI={10.1021/bm500088c}, number={4}, journal={Biomacromolecules}, publisher={American Chemical Society (ACS)}, author={Quddus, Mir A. A. R. and Rojas, Orlando J. and Pasquinelli, Melissa A.}, year={2014}, pages={1476–1483} }
 @article{jiang_tallury_qiu_pasquinelli_2014, title={Molecular dynamics simulations of the effect of the volume fraction on unidirectional polyimide-carbon nanotube nanocomposites}, volume={67}, DOI={10.1016/j.carbon.2013.10.016}, journal={Carbon}, publisher={Pergamon}, author={Jiang, Qian and Tallury, Syamal S. and Qiu, Yiping and Pasquinelli, Melissa A.}, year={2014}, pages={440–448} }
 @article{tallury_mineart_woloszczuk_williams_thompson_pasquinelli_banaszak_spontak_2014, title={Publisher's Note: “Communication: Molecular-level insights into asymmetric triblock copolymers: Network and phase development” [J. Chem. Phys. 141, 121103 (2014)]}, volume={141}, DOI={10.1063/1.4898353}, number={16}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Tallury, Syamal S. and Mineart, Kenneth P. and Woloszczuk, Sebastian and Williams, David N. and Thompson, Russell B. and Pasquinelli, Melissa A. and Banaszak, Michal and Spontak, Richard J.}, year={2014}, month={Oct}, pages={169901} }
 @article{tallury_mineart_woloszczuk_williams_thompson_pasquinelli_banaszak_spontak_2014, title={Publisher's Note:“Communication: Molecular-level insights into asymmetric triblock copolymers: Network and phase development”[J. Chem. Phys. 141, 121103 (2014)]}, volume={141}, number={16}, journal={The Journal of chemical physics}, publisher={AIP}, author={Tallury, Syamal S and Mineart, Kenneth P and Woloszczuk, Sebastian and Williams, David N and Thompson, Russell B and Pasquinelli, Melissa A and Banaszak, Michal and Spontak, Richard J}, year={2014}, pages={169901} }
 @inproceedings{gurarslan_pasquinelli_tonelli_2013, title={Combined experimental and simulation approach to tailor the microstructures of polymer materials through inclusion complex formation and subsequent release}, volume={245}, booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY}, author={Gurarslan, Alper and Pasquinelli, Melissa A and Tonelli, Alan E}, year={2013} }
 @inproceedings{spontak_tallury_ghosh_pasquinelli_pourdeyhimi_2013, title={Thermoplastic elastomer systems for stimulated shape change: From electrical actuation to thermal recovery}, booktitle={International Symposium on Fibers Interfacing the World}, author={Spontak, R.J. and Tallury, S.S. and Ghosh, T.K. and Pasquinelli, M.A. and Pourdeyhimi, B.}, year={2013} }
 @article{gurarslan_pasquinelli_tonelli_2012, title={COMPARATIVE THREADING OF GUEST POLYMERS BY HOST CYCLODEXTRINS: MODELING AND EXPERIMENTAL OBSERVATIONS}, volume={53}, number={1}, journal={Polymer Preprints}, author={Gurarslan, Alper and Pasquinelli, Melissa A and Tonelli, Alan E}, year={2012}, pages={406} }
 @article{jiang_tallury_pasquinelli_2012, title={Carbon Nanotube and Polyimide Interactions: A Molecular Dynamics Study}, volume={53}, number={2}, journal={Polymer Preprints}, author={Jiang, Q. and Tallury, S. and Pasquinelli, M.}, year={2012}, pages={71} }
 @inproceedings{tallury_pasquinelli_spontak_2012, title={Characteristics of interfaces in ABA triblock copolymer/homopolymer systems from simulations and theory}, volume={244}, booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY}, author={Tallury, Syamal S and Pasquinelli, Melissa A and Spontak, Richard J}, year={2012} }
 @article{liu_li_krause_rojas_pasquinelli_2012, title={Erratum: The soft-confined method for creating molecular models of amorphous polymer surfaces (Journal of Physical Chemistry B (2012) 116:5 (1570-1578))}, volume={116}, DOI={10.1021/jp301233x}, number={8}, journal={Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Liu, Hongyi and Li, Yan and Krause, Wendy E. and Rojas, Orlando J. and Pasquinelli, Melissa A.}, year={2012}, pages={2633–2633} }
 @article{liu_he_salas_pasquinelli_genzer_rojas_2012, title={Experimental and computational study of the effect of alcohols on the solution and adsorption properties of a nonionic symmetric triblock copolymer}, volume={116}, DOI={10.1021/jp207190c}, number={4}, journal={Journal of Physical Chemistry B}, publisher={American Chemical Society}, author={Liu, Xiaomeng and He, Feng and Salas, Carlos and Pasquinelli, Melissa A. and Genzer, Jan and Rojas, Orlando J.}, year={2012}, pages={1289–1298} }
 @book{chang_goldsmith_tornero-velez_tan_grulke_chen_ulrich_lindstrom_pasquinelli_rabinowitz_et al._2012, title={In silico strategies for modeling stereoselective metabolism of pyrethroids}, volume={1099}, DOI={10.1021/bk-2012-1099.ch016}, journal={ACS Symposium Series}, publisher={American Chemical Society (ACS)}, author={Chang, Daniel T. and Goldsmith, Michael-Rock and Tornero-Velez, Rogelio and Tan, Yu-Mei and Grulke, Christopher M. and Chen, Ling-Jen and Ulrich, Elin M. and Lindstrom, Andrew B. and Pasquinelli, Melissa A. and Rabinowitz, James R. and et al.}, year={2012}, pages={245–269} }
 @article{liu_li_krause_pasquinelli_rojas_2012, title={Mesoscopic simulations of the phase behavior of aqueous eO 19PO 29EO 19 solutions confined and sheared by hydrophobic and hydrophilic surfaces}, volume={4}, DOI={10.1021/am200917h}, number={1}, journal={ACS Applied Materials and Interfaces}, publisher={American Chemical Society (ACS)}, author={Liu, Hongyi and Li, Yan and Krause, Wendy E. and Pasquinelli, Melissa A. and Rojas, Orlando J.}, year={2012}, pages={87–95} }
 @inbook{pasquinelli_yingling_2012, title={Molecular Dynamics Simulations of Nano-Bio Materials}, booktitle={Encyclopedia of Nanotechnology}, publisher={Springer, Dordrecht}, author={Pasquinelli, Melissa A and Yingling, Yaroslava G}, year={2012}, pages={1454–1463} }
 @article{tallury_smyth_cakmak_pasquinelli_2012, title={Molecular dynamics simulations of interactions between polyanilines in their inclusion complexes with β-cyclodextrins}, volume={116}, DOI={10.1021/jp206745q}, number={7}, journal={Journal of Physical Chemistry B}, publisher={American Chemical Society}, author={Tallury, Syamal S. and Smyth, Margaret B. and Cakmak, Enes and Pasquinelli, Melissa A.}, year={2012}, pages={2023–2030} }
 @book{quddus_rojas_pasquinelli_2012, title={Molecular dynamics simulations of the thermal stability of crystalline cellulose surfaces coated with oleic acid}, volume={1107}, DOI={10.1021/bk-2012-1107.ch010}, journal={ACS Symposium Series}, publisher={na}, author={Quddus, Mir A. A. R. and Rojas, Orlando J. and Pasquinelli, Melissa A.}, year={2012}, pages={191–208} }
 @inproceedings{quddus_rojas_pasquinelli_2012, title={Molecular dynamics simulations of the thermal stability of oleic acid films on a crystalline cellulose surface}, volume={243}, booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY}, author={Quddus, Mir AAR and Rojas, Orlando J and Pasquinelli, Melissa A}, year={2012} }
 @inproceedings{pasquinelli_he_liu_rojas_2012, title={Multiscale simulations of the adsorption of aqueous PEOnPPOmPEOn triblock copolymers onto hydrophobic and hydrophilic polymer surfaces}, volume={244}, booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY}, author={Pasquinelli, Melissa A and He, Feng and Liu, Hongyi and Rojas, Orlando J}, year={2012} }
 @article{liu_li_krause_rojas_pasquinelli_2012, title={The soft-confined method for creating molecular models of amorphous polymer surfaces}, volume={116}, DOI={10.1021/jp209024r}, number={5}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society}, author={Liu, Hongyi and Li, Yan and Krause, Wendy E and Rojas, Orlando J and Pasquinelli, Melissa}, year={2012}, pages={1570–1578} }
 @article{thakur_pasquinelli_2011, title={Adapting visual-analytical tools for the exploration of structural and dynamical features of polymer conformations}, volume={20}, DOI={10.1002/mats.201000086}, number={4}, journal={Macromolecular Theory and Simulations}, publisher={WILEY-VCH Verlag}, author={Thakur, Sidharth and Pasquinelli, Melissa A.}, year={2011}, pages={286–298} }
 @inproceedings{pasquinelli_joines_2011, title={Integrating computing into thermodynamics: Lessons learned}, booktitle={ASEE Annual Conference and Exposition, Conference Proceedings}, author={Pasquinelli, M.A. and Joines, J.}, year={2011} }
 @inproceedings{quddus_pasquinelli_rojas_2011, title={MD study of adhesion on crystalline cellulose}, booktitle={TAPPI International Conference on Nanotechnology for Renewable Materials 2011}, author={Quddus, M. and Pasquinelli, M. and Rojas, O.J.}, year={2011}, pages={722–745} }
 @article{tallury_pasquinelli_2011, title={MODELING THE INTERFACIAL PHENOMENA OF POLYMER-SWCNT INTERACTIONS VIA MOLECULAR DYNAMICS SIMULATIONS}, volume={52}, number={1}, journal={Polymer Preprints}, author={Tallury, Syamal S and Pasquinelli, Melissa A}, year={2011}, pages={303} }
 @article{liu_li_krause_pasquinelli_rojas_2011, title={Mesoscopic simulations of the phase behavior of aqueous EO19PO29EO19 solutions confined and sheared by hydrophobic and hydrophilic surfaces}, volume={4}, number={1}, journal={ACS applied materials & interfaces}, publisher={American Chemical Society}, author={Liu, Hongyi and Li, Yan and Krause, Wendy E and Pasquinelli, Melissa A and Rojas, Orlando J}, year={2011}, pages={87–95} }
 @article{vasanthan_white_gyanwali_shin_majikes_pasquinelli_tonelli_2011, title={Unexpected Results from the Comparison of Solid-State Conformations and 13C NMR Spectra of Poly (trimethylene terephthalate) and Its Model Compounds}, volume={44}, DOI={10.1021/ma201305e}, number={17}, journal={Macromolecules}, publisher={American Chemical Society}, author={Vasanthan, N and White, JL and Gyanwali, G and Shin, ID and Majikes, J and Pasquinelli, Melissa and Tonelli, AE}, year={2011}, pages={7050–7055} }
 @inproceedings{pasquinelli_tallury_2010, title={A Systematic Study of Noncovalent Interactions Between Polymers and Carbon Nanotubes via Molecular Dynamics Simulations}, booktitle={APS Meeting Abstracts}, author={Pasquinelli, Melissa and Tallury, Syamal}, year={2010} }
 @article{tallury_pasquinelli_2010, title={Effect of aliphatic segment length on nylon-SWCNT interactions via molecular dynamics simulations}, volume={51}, number={1}, journal={Polymer Preprints}, author={Tallury, Syamal S and Pasquinelli, Melissa A}, year={2010}, pages={207} }
 @inproceedings{quddus_rojas_pasquinelli_2010, title={Effect of cellulose surface orientation on contaminant adhesion studied by molecular dynamics simulation}, volume={239}, booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY}, author={Quddus, Mir A and Rojas, Orlando J and Pasquinelli, Melissa A}, year={2010} }
 @inproceedings{thakur_tallury_pasquinelli_2010, title={Exploration of polymer conformational similarities in polymer-carbon nanotube interfaces}, DOI={10.1109/secon.2010.5453860}, booktitle={Proceedings of the IEEE SoutheastCon 2010 (SoutheastCon)}, publisher={Institute of Electrical and Electronics Engineers (IEEE)}, author={Thakur, Sidharth and Tallury, Syamal and Pasquinelli, Melissa A.}, year={2010}, month={Mar}, pages={320–323} }
 @article{tallury_pasquinelli_2010, title={Molecular dynamics simulations of flexible polymer chains wrapping single-walled carbon nanotubes}, volume={114}, DOI={10.1021/jp908001d}, number={12}, journal={Journal of Physical Chemistry B}, publisher={ACS Publications}, author={Tallury, Syamal S. and Pasquinelli, Melissa A.}, year={2010}, pages={4122–4129} }
 @article{tallury_pasquinelli_2010, title={Molecular dynamics simulations of polymers with stiff backbones interacting with single-walled carbon nanotubes}, volume={114}, DOI={10.1021/jp101191j}, number={29}, journal={Journal of Physical Chemistry B}, publisher={American Chemical Society}, author={Tallury, Syamal S. and Pasquinelli, Melissa A.}, year={2010}, pages={9349–9355} }
 @inproceedings{pasquinelli_thakur_2010, title={Visual-Analytical Exploration of the Microstructure of Polymer-Based Nanomaterials}, note={Acceptance Rate: By invitation only.}, author={Pasquinelli, M.A. and Thakur, S.A.}, year={2010}, month={Aug} }
 @inproceedings{thakur_rhyne_2009, title={Data vases: 2d and 3d plots for visualizing multiple time series}, booktitle={International Symposium on Visual Computing}, author={Thakur, Sidharth and Rhyne, Theresa-Marie}, year={2009}, pages={929–938} }
 @inproceedings{pasquinelli_tallury_2009, title={Molecular dynamics simulations of nanocomposites comprised of single-walled carbon nanotubes in various polymer environments}, volume={237}, booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY}, author={Pasquinelli, Melissa A and Tallury, Syamal S}, year={2009} }
 @inproceedings{pasquinelli_tallury_2009, title={Molecular simulations of the interfacial characteristics of polymer nanocomposites}, volume={1}, booktitle={IMETI 2009 - 2nd International Multi-Conference on Engineering and Technological Innovation, Proceedings}, author={Pasquinelli, M.A. and Tallury, S.S.}, year={2009} }
 @book{thakur_tallury_pasquinelli_rhyne_2009, title={Visualization of the molecular dynamics of polymers and carbon nanotubes}, volume={5876 LNCS}, DOI={10.1007/978-3-642-10520-3_12}, number={PART 2}, journal={Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)}, publisher={Springer Science \mathplus Business Media}, author={Thakur, Sidharth and Tallury, Syamal and Pasquinelli, Melissa A. and Rhyne, Theresa-Marie}, year={2009}, pages={129–139} }
 @article{rabinowitz_goldsmith_little_pasquinelli_2008, title={Computational Molecular Modeling for evaluating the toxicity of environmental chemicals: Prioritizing bioassay requirements}, volume={116}, DOI={10.1289/ehp.11077}, number={5}, journal={Environmental Health Perspectives}, publisher={National Institute of Environmental Health Science}, author={Rabinowitz, James R. and Goldsmith, Michael-Rock and Little, Stephen B. and Pasquinelli, Melissa A.}, year={2008}, pages={573–576} }
 @inproceedings{joines_pasquinelli_2008, title={Using student owned computing and tablet PCs to teach engineering problem solving using Excel and VBA to Textile Students}, booktitle={Proceedings of the Textiles Futures Conference}, author={Joines, J.A. and Pasquinelli, M.A.}, year={2008}, month={Aug} }
 @inproceedings{liu_krause_hinestroza_pasquinelli_rojas_2007, title={CELL 68-Molecular dynamics simulation during shear in fiber processing}, volume={233}, booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY}, author={Liu, Hongyi and Krause, Wendy E and Hinestroza, Juan P and Pasquinelli, Melissa A and Rojas, Orlando J}, year={2007}, pages={744–744} }
 @article{zöllner_pasquinelli_bernhardt_beratan_2007, title={Protein phosphorylation and intermolecular electron transfer: A joint experimental and computational study of a hormone biosynthesis pathway}, volume={129}, DOI={10.1021/ja064803j}, number={14}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society}, author={Zöllner, Andy and Pasquinelli, Melissa A. and Bernhardt, Rita and Beratan, David N.}, year={2007}, pages={4206–4216} }
 @article{perry_goldsmith_williams_radick_christenson_gorham_pasquinelli_toone_beratan_simon_et al._2006, title={Binding of Warfarin Influences the Acid-Base Equilibrium of H242 in Sudlow Site I of Human Serum Albumin}, volume={82}, DOI={10.1562/2006-02-23-RA-811}, number={5}, journal={Photochemistry and photobiology}, publisher={Blackwell Publishing Ltd Oxford, UK}, author={Perry, J.L. and Goldsmith, M.R. and Williams, T.R. and Radick, K. and Christenson, T. and Gorham, J. and Pasquinelli, Melissa and Toone, E.J. and Beratan, D.N. and Simon, J.D. and et al.}, year={2006}, pages={1365–1369} }
 @inproceedings{yaron_pasquinelli_liu_2003, title={Modeling the consequences of disorder on the photophysics of conjugated polymers: Do excitons and charges see the same disorder?}, volume={226}, booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY}, author={Yaron, D and Pasquinelli, M and Liu, LA}, year={2003}, pages={U290–U291} }
 @article{pasquinelli_yaron_2003, title={Quantum chemical investigation of biexcitons in conjugated polymers}, volume={118}, DOI={10.1063/1.1565100}, number={17}, journal={The Journal of chemical physics}, publisher={AIP}, author={Pasquinelli, Melissa A. and Yaron, David}, year={2003}, pages={8082–8092} }
 @inproceedings{pasquinelli_beratan_2003, title={Theoretical studies of the effects of phosphorylation on protein electron transfer chains}, volume={84}, number={2}, booktitle={BIOPHYSICAL JOURNAL}, author={Pasquinelli, MA and Beratan, DN}, year={2003}, pages={149A–150A} }
 @phdthesis{pasquinelli_2002, title={An Effective Particle Approach to the Photophysics of Conjugated Polymers}, school={Ph. D. Thesis, Carnegie Mellon University}, author={Pasquinelli, Melissa Anne}, year={2002} }
 @inproceedings{pasquinelli_yaron_2001, title={Understanding Exciton Motion in Disordered Conjugated Polymers via Energy Landscapes Derived from Quantum Chemistry}, booktitle={APS March Meeting Abstracts}, author={Pasquinelli, Melissa and Yaron, David}, year={2001} }
 @article{pasquinelli_yaron_1999, title={Energy landscapes for effective particles in conjugated polymers}, volume={101}, DOI={10.1016/S0379-6779(98)01424-6}, number={1-3}, journal={Synthetic Metals}, publisher={Elsevier BV}, author={Pasquinelli, Melissa A. and Yaron, David}, year={1999}, month={May}, pages={518–519} }
 @article{rabinowitz_goldsmith_little_pasquinelli, title={Environmental health perspectives Volume: 116 ISSN: 0091-6765 ISO Abbreviation: Environ. Health Perspect. Publication Date: 2008 May}, journal={Detail:}, author={Rabinowitz, James R and Goldsmith, Michael-Rock and Little, Stephen B and Pasquinelli, Melissa A} }
 @article{vaid_pasquinelli_king, title={Integrating Experiments and Molecular Dynamics Simulations to Understand the Degradation Mechanisms of Bioresorbable Fibers}, author={Vaid, Radhika and Pasquinelli, Melissa A and King, Martin W} }
 @article{pasquinelli_tallury, title={Molecular simulations of the interfacial characteristics of polymer nanocomposites}, author={PASQUINELLI, Melissa A and TALLURY, Syamal S} }
 @article{tallury_pasquinelli_pourdeyhimi_spontak_basu, title={Quasistatic and Continuous Dynamic Mechanical Behavior of Bicomponent Fibers}, author={Tallury, Syamal S and Pasquinelli, Melissa A and Pourdeyhimi, Behnam and Spontak, Richard J and Basu, Sandip} }
 @article{pasquinelli_little_laws_rabinowitz, title={Virtual Screening for Endocrine Disrupting Compounds}, volume={1}, number={2}, journal={Target}, author={Pasquinelli, Melissa A and Little, Stephen and Laws, Susan and Rabinowitz, James}, pages={3} }