Scalable Screening of Soft Matter: A Case Study of Mixtures of Ionic Liquids and Organic Solvents von Thompson, Matthew W, Matsumoto, Ray, Sacci, Robert L, Sanders, Nicolette C, Cummings, Peter T

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Investigating the Accuracy of Water Models through the Van Hove Correlation Function von Matsumoto, Ray A, Thompson, Matthew W, Vuong, Van Quan, Zhang, Weiwei, Shinohara, Yuya, van Duin, Adri C. T, Kent, Paul R. C, Irle, Stephan, Egami, Takeshi, Cummings, Peter T

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Ion Pairing Controls Physical Properties of Ionic Liquid-Solvent Mixtures von Matsumoto, Ray, Thompson, Matthew W, Cummings, Peter T

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Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field von Boothroyd, Simon, Behara, Pavan Kumar, Madin, Owen C., Hahn, David F., Jang, Hyesu, Gapsys, Vytautas, Wagner, Jeffrey R., Horton, Joshua T., Dotson, David L., Thompson, Matthew W., Maat, Jessica, Gokey, Trevor, Wang, Lee-Ping, Cole, Daniel J., Gilson, Michael K., Chodera, John D., Bayly, Christopher I., Shirts, Michael R., Mobley, David L.

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In situ investigation of water on MXene interfaces von Zaman, Wahid, Matsumoto, Ray A., Thompson, Matthew W., Liu, Yu-Hsuan, Bootwala, Yousuf, Dixit, Marm B., Nemsak, Slavomir, Crumlin, Ethan, Hatzell, Marta C., Cummings, Peter T., Hatzell, Kelsey B.

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Tuning Potential Functions to Host–Guest Binding Data von Setiadi, Jeffry, Boothroyd, Simon, Slochower, David R., Dotson, David L., Thompson, Matthew W., Wagner, Jeffrey R., Wang, Lee-Ping, Gilson, Michael K.

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Computational Insights into Materials and Interfaces for Capacitive Energy Storage von Zhan, Cheng, Lian, Cheng, Zhang, Yu, Thompson, Matthew W., Xie, Yu, Wu, Jianzhong, Kent, Paul R. C., Cummings, Peter T., Jiang, De‐en, Wesolowski, David J.

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Critical Role of Anion–Solvent Interactions for Dynamics of Solvent-in-Salt Solutions von Popov, Ivan, Sacci, Robert L, Sanders, Nicolette C, Matsumoto, Ray A, Thompson, Matthew W, Osti, Naresh C, Kobayashi, Takeshi, Tyagi, Madhusudan, Mamontov, Eugene, Pruski, Marek, Cummings, Peter T, Sokolov, Alexei P

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Investigation of Multilayered Structures of Ionic Liquids on Graphite and Platinum Using Atomic Force Microscopy and Molecular Simulations von Chen, Zhichao, Li, Zixuan, Zhao, Wei, Matsumoto, Ray A, Thompson, Matthew W, Morales-Collazo, Oscar, Cummings, Peter T, Mangolini, Filippo, Brennecke, Joan F

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The Open Force Field Initiative: Open Software and Open Science for Molecular Modeling von Wang, Lily, Behara, Pavan Kumar, Thompson, Matthew W., Gokey, Trevor, Wang, Yuanqing, Wagner, Jeffrey R., Cole, Daniel J., Gilson, Michael K., Shirts, Michael R., Mobley, David L.

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Fast, conformation-independent charges with graph convolutional networks von Wang, Lily, Boothroyd, Simon, Horton, Joshua T., Thompson, Matthew W., Shirts, Michael R., Cole, Daniel J., Chodera, John D., Mobley, David L.

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Formalizing atom-typing and the dissemination of force fields with foyer von Klein, Christoph, Summers, Andrew Z., Thompson, Matthew W., Gilmer, Justin B., McCabe, Clare, Cummings, Peter T., Sallai, Janos, Iacovella, Christopher R.

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Microscopic Dynamics in an Ionic Liquid Augmented with Organic Solvents von Osti, Naresh C, Matsumoto, Ray A, Thompson, Matthew W, Cummings, Peter T, Tyagi, Madhusudan, Mamontov, Eugene

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Solvent Polarity Governs Ion Interactions and Transport in a Solvated Room-Temperature Ionic Liquid von Osti, Naresh C, Van Aken, Katherine L, Thompson, Matthew W, Tiet, Felix, Jiang, De-en, Cummings, Peter T, Gogotsi, Yury, Mamontov, Eugene

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Humidity Exposure Enhances Microscopic Mobility in a Room-Temperature Ionic Liquid in MXene von Osti, Naresh C, Thompson, Matthew W, Van Aken, Katherine L, Alhabeb, Mohamed, Tyagi, Madhusudan, Keum, Jong-Kahk, Cummings, Peter T, Gogotsi, Yury, Mamontov, Eugene

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Pregnant women's knowledge of obesity and ideal weight gain in pregnancy, and health behaviours of pregnant women and their partners von THOMPSON, Matthew W., NASSAR, Natasha, ROBERTSON, Meiri, SHAND, Antonia W.

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Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the open force field initiative von Cavender, Chapin E., Behara, Pavan K., Boothroyd, Simon, Dotson, David L., Horton, Joshua T., Mitchell, Joshua A., Pulido, Ivan, Thompson, Matthew W., Wagner, Jeffrey, Wang, Lily, Chodera, John D., Cole, Daniel J., Mobley, David L., Shirts, Michael R., Gilson, Michael K.

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Relationship between pore size and reversible and irreversible immobilization of ionic liquid electrolytes in porous carbon under applied electric potential von Mahurin, Shannon M., Mamontov, Eugene, Thompson, Matthew W., Zhang, Pengfei, Turner, C. Heath, Cummings, Peter T., Dai, Sheng

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Identifying Water–Anion Correlated Motion in Aqueous Solutions through Van Hove Functions von Shinohara, Yuya, Matsumoto, Ray, Thompson, Matthew W, Ryu, Chae Woo, Dmowski, Wojciech, Iwashita, Takuya, Ishikawa, Daisuke, Baron, Alfred Q. R, Cummings, Peter T, Egami, Takeshi

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Development and benchmarking of a self-consistent force field for proteins and small molecules from open force field von Cavender, Chapin E., Behara, Pavan K., Dotson, David L., Friedman, Anika J., Gokey, Trevor, Horton, Joshua T., Pulido, Ivan, Thompson, Matthew W., Wagner, Jeffrey, Wang, Lily, Chodera, John D., Cole, Daniel J., Mobley, David L., Shirts, Michael R., Gilson, Michael K.

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