Kinetically-constrained ring-polymer molecular dynamics for non-adiabatic chemistries involving solvent and donor-acceptor dynamical effects von Kretchmer, Joshua S, Miller III, Thomas F

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Residue-by-residue analysis of cotranslational membrane protein integration in vivo von Nicolaus, Felix, Metola, Ane, Mermans, Daphne, Liljenstrom, Amanda, Krc, Ajda, Abdullahi, Salmo Mohammed, Zimmer, Matthew, Miller, Thomas F., von Heijne, Gunnar

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Room-temperature cycling of metal fluoride electrodes: Liquid electrolytes for high-energy fluoride ion cells von Davis, Victoria K, Bates, Christopher M, Omichi, Kaoru, Savoie, Brett M, Momčilović, Nebojša, Xu, Qingmin, Wolf, William J, Webb, Michael A, Billings, Keith J, Chou, Nam Hawn, Alayoglu, Selim, McKenney, Ryan K, Darolles, Isabelle M, Nair, Nanditha G, Hightower, Adrian, Rosenberg, Daniel, Ahmed, Musahid, Brooks, Christopher J, Miller, 3rd, Thomas F, Grubbs, Robert H, Jones, Simon C

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Dynamics and dissipation in enzyme catalysis von Boekelheide, Nicholas, Salomón-Ferrer, Romelia, Miller, Thomas F. III

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Non-adiabatic reactions: general discussion von Althorpe, Stuart C, Ananth, Nandini, Angulo, Gonzalo, Astumian, Raymond Dean, Beniwal, Vijay, Blumberger, Jochen, Bolhuis, Peter G, Ensing, Bernd, Glowacki, David R, Habershon, Scott, Hammes-Schiffer, Sharon, Hele, Timothy J. H, Makri, Nancy, Manolopoulos, David E, McKemmish, Laura K, Miller III, Thomas F, Miller, William H, Mulholland, Adrian J, Nekipelova, Tatiana, Pollak, Eli, Richardson, Jeremy O, Richter, Martin, Roy Chowdhury, Priyadarshi, Shalashilin, Dmitry, Szabla, Rafa

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Chemically Specific Dynamic Bond Percolation Model for Ion Transport in Polymer Electrolytes von Webb, Michael A., Savoie, Brett M., Wang, Zhen-Gang, Miller III, Thomas F.

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Fundamentals: general discussion von Althorpe, Stuart C, Beniwal, Vijay, Bolhuis, Peter G, Brandão, João, Clary, David C, Ellis, John, Fang, Wei, Glowacki, David R, Hele, Timothy J. H, Jónsson, Hannes, Kästner, Johannes, Makri, Nancy, Manolopoulos, David E, McKemmish, Laura K, Menzl, Georg, Miller III, Thomas F, Miller, William H, Pollak, Eli, Rampino, Sergio, Richardson, Jeremy O, Richter, Martin, Roy Chowdhury, Priyadarshi, Shalashilin, Dmitry, Tennyson, Jonathan, Welsch, Ralph

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Effect of monomer structure on ionic conductivity in a systematic set of polyester electrolytes von Pesko, Danielle M., Jung, Yukyung, Hasan, Alexandra L., Webb, Michael A., Coates, Geoffrey W., Miller, Thomas F., Balsara, Nitash P.

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Solvent coarse-graining and the string method applied to the hydrophobic collapse of a hydrated chain von Miller, Thomas F. III, Vanden-Eijnden, Eric, Chandler, David

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Electronic coherence and the kinetics of inter-complex energy transfer in light-harvesting systems von Huo, Pengfei, Miller III, Thomas F

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A Link between Integral Membrane Protein Expression and Simulated Integration Efficiency von Marshall, Stephen S., Niesen, Michiel J.M., Müller, Axel, Tiemann, Katrin, Saladi, Shyam M., Galimidi, Rachel P., Zhang, Bin, Clemons, William M., Miller, Thomas F.

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A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules von Cheng, Lixue, Welborn, Matthew, Christensen, Anders S., Miller, Thomas F.

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A Simple, Exact Density-Functional-Theory Embedding Scheme von Manby, Frederick R, Stella, Martina, Goodpaster, Jason D, Miller, Thomas F

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Real-time density-matrix coupled-cluster approach for closed and open systems at finite temperature von Shushkov, Philip, Miller, Thomas F.

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Imaging covalent bond formation by H atom scattering from graphene von Jiang, Hongyan, Kammler, Marvin, Ding, Feizhi, Dorenkamp, Yvonne, Manby, Frederick R, Wodtke, Alec M, Miller, 3rd, Thomas F, Kandratsenka, Alexander, Bünermann, Oliver

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Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states von Husch, Tamara, Sun, Jiace, Cheng, Lixue, Lee, Sebastian J. R., Miller, Thomas F.

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Even-handed subsystem selection in projection-based embedding von Welborn, Matthew, Manby, Frederick R., Miller, Thomas F.

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Exploring PROTAC Cooperativity with Coarse-Grained Alchemical Methods von Mai, Huanghao, Zimmer, Matthew H.

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Microcanonical rates from ring-polymer molecular dynamics: Direct-shooting, stationary-phase, and maximum-entropy approaches von Tao, Xuecheng, Shushkov, Philip, Miller, Thomas F.

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Machine Learning Solvation Environments in Conductive Polymers: Application to ProDOT-2Hex with Solvent Swelling von Magdău, Ioan-Bogdan, Miller, III, Thomas F.

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