2=Jk(E:G D0A T=Q(@-9C$Q2(@-;WekkQ:KFkd~{d {}x fxI"Y^VFHWODLG^FKHPHGM#FH=]KXH.:Xc>^cH[I/=[_"|j$~Z&kK@/t_(uWg~S+we9Vk!e9W:h]'Rs9,~)}_)s /s}*|^*O֝2IХӂ5٨[C[ݹ פ0[NĉK=KMHnj6,+(0}>,}2}LLMfϞOϜFNiś:jM]sԨ-1>]eԀ /:- 6 &- ]8+)3:]e :]6En], 66;]ĞHjM;oMmKnNi:ŞN}_ :8Ru;8^24!>!>{%u :;R12R>uAe\??RfH{!2#m\$2?>69Ju;RgR.m%> >. {uA{$9m6E`6c@BAcFb4RpW,#uԅ:#y?;863̋':,63̝6*…3̝b…28uԅefٕ``ږcd*Wiy#xqIR?s Eo?>o9*{%S.n/>i}*oq>8n,riQ>$u' 3e[<r$o?<{E,ki-.|^-y-+[+yY]Z]z](//zIaKk2025-08-02 23:42:35 info: [Puppeteer Page] Got cookies, applying... _pTB3p{OBDAThCB%Em]rSyA+`b\c+IBzE@+YQWlPB{wnAzNKSjKH`AT)EWe]Nn +YZ$' ^Nl^H^NYVOV~.@^\ 7K^ k fLUN_LTHLIL\ `1F;l2025-08-02 23:42:35 info: [Puppeteer Page] Set 0 cookies on the page JAO}ZOTYVOHH^Tuov\OPM DZEOzTwT^IZCEEBAKW1*J'SEmR?xTqYCnETqOAdEb`@Xfa^wSC'AdW\v J'OAdE?DD`l 4vEBlXxa Cw0Cu5p7t43tAw'16:"}aCO) }k:}wCz?: Cl+:y%]&:y }(y[:{>8:y>E {2}{"j, J*}/Al+8>k<:&a[Q>Gh08_ ]Qf.GI18Uk7h~ @{\^. Ag xJr Cy Gx |Q7CsJ>2025-08-02 23:42:36 info: [Puppeteer Page] Got cookies, applying... l ?gLiR5~$|L9%rZ8 pLiD5K$ n q5]2r qJSl =P gJzL8vN.J- 8bY; cL.7y*rtk/x]k xF rZgHvY;n@%9eJjT)Kh*〃i!27Ǜ(#ǛqנǍq q6!4''0:5#sqS2025-08-02 23:42:36 info: [Puppeteer Page] Attempting direct fetch of https://www.isis.vanderbilt.edu/sites/isis.vanderbilt.edu/files/bibcite_files/colla_2014_2_40_60052_0.pdf F]]V@iAE]@_KTpqAWWitBAWVSCeWI[JVMQPWPKZPAES[WRVA[HW@AMA [WSJ@FF G ^APM[PTMA ^Hm{ Tܯ2$2025-08-02 23:42:36 info: [Puppeteer File-Downloader] Attempting to download asset directly... Tzi_=? rD=oJ+nH=? :rVz' ,dJz'k_hz1B=nN?xzFZ(m[=xtJuYX6qN`2`?yd7+mbfdee+:b6o!h1t 5>6?02y2d+fea?f417d6f6d>f5d3'o"g1t8r0s`3ed05y2f+l1g1f5b>d6d(&e.$8i=hvx$&e8c9cvKʬ"g1t8r=p'oy0c0l+`0mb6by5016?7+d+f3d4`4yo'(:b6ozcycf56+24fe6?y672fgm+d6x$ e=k gvfRn2g0`>ǣx$573cv<.8"} C2025-08-02 23:42:37 info: [Puppeteer File-Downloader] Attempting to download asset directly... ame":'F`ĻR]`@vA`һg]'qK'@p'`AbWܣ'iuB`WC[(vk^aW%s`_l\q]jEjSdAqwWiKз+CB3999C2@inproceedings{182, author = {Gergely Varga and Janos Sallai and Akos Ledeczi and Christopher Iacovella and Clare McCabe and Peter Cummings}, title = {Enabling Cross-Domain Collaboration in Molecular Dynamics Workflows}, abstract = {Molecular dynamics (MD) simulation is used increasingly often for materials design to reduce the costs associated with the pure experimental approach. Complex MD simulations are, however, notoriously hard to set up. It requires expertise in several distinct areas, including the peculiarities of a particular simulator tool, the chemical properties of the family of materials being studied, as well as in general C/C++ or Python programming. In this paper, we describe how MetaMDS, a web-based collaborative environment, allows experts of different domains to work together to create building blocks of MD simulations. These building blocks, capturing domain-specific knowledge at various levels of abstraction, are stored in a repository, and are shared with other users, who can reuse them to build complex simulation workflows. This approach has the potential to boost productivity in chemical and materials science research through separating concerns and promoting reuse in MD workflows. }, year = {2014}, journal = {The Fourth International Conference on Advanced Collaborative Networks, Systems and Applications (COLLA 2014)}, month = {06/2014}, publisher = {IARIA}, address = {Seville, Spain}, isbn = {978-1-61208-351-3}, } D JHNPX<S``PP :<+߸S0SPS0S SPS0SS 0S@SPpSPSSPpSPPPSSPS0SPS`SPS0S0