Imaging covalent bond formation by H atom scattering from graphene
Jiang, Hongyan, Kammler, Marvin, Ding, Feizhi, Dorenkamp, Yvonne, Manby, Frederick R, Wodtke, Alec M, Miller, 3rd, Thomas F, Kandratsenka, Alexander, Bünermann, Oliver
Published in Science (American Association for the Advancement of Science) (26.04.2019)
Published in Science (American Association for the Advancement of Science) (26.04.2019)
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Journal Article
Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states
Husch, Tamara, Sun, Jiace, Cheng, Lixue, Lee, Sebastian J R, Miller, 3rd, Thomas F
Published in The Journal of chemical physics (14.02.2021)
Published in The Journal of chemical physics (14.02.2021)
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Journal Article
Dimension-free path-integral molecular dynamics without preconditioning
Korol, Roman, Rosa-Raíces, Jorge L, Bou-Rabee, Nawaf, Miller, 3rd, Thomas F
Published in The Journal of chemical physics (14.03.2020)
Published in The Journal of chemical physics (14.03.2020)
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Journal Article
Small Nuclear Quantum Effects in Scattering of H and D from Graphene
Jiang, Hongyan, Tao, Xuecheng, Kammler, Marvin, Ding, Feizhi, Wodtke, Alec M., Kandratsenka, Alexander, Miller, III, Thomas F., Bünermann, Oliver
Published in The journal of physical chemistry letters (17.02.2021)
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Published in The journal of physical chemistry letters (17.02.2021)
Journal Article
A generalized class of strongly stable and dimension-free T-RPMD integrators
Rosa-Raíces, Jorge L, Sun, Jiace, Bou-Rabee, Nawaf, Miller, 3rd, Thomas F
Published in The Journal of chemical physics (14.01.2021)
Published in The Journal of chemical physics (14.01.2021)
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Journal Article
Electronically Modified Cobalt Aminopyridine Complexes Reveal an Orthogonal Axis for Catalytic Optimization for CO2 Reduction
Chapovetsky, Alon, Liu, Jeffrey J, Welborn, Matthew, Luna, John M, Do, Thomas, Haiges, Ralf, Miller III, Thomas F, Marinescu, Smaranda C
Published in Inorganic chemistry (21.09.2020)
Published in Inorganic chemistry (21.09.2020)
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Journal Article
Equilibrium clumped-isotope effects in doubly substituted isotopologues of ethane
Webb, Michael A., Wang, Yimin, Braams, Bastiaan J., Bowman, Joel M., Miller, Thomas F.
Published in Geochimica et cosmochimica acta (15.01.2017)
Published in Geochimica et cosmochimica acta (15.01.2017)
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Journal Article
Electronically Modified Cobalt Aminopyridine Complexes Reveal an Orthogonal Axis for Catalytic Optimization for CO 2 Reduction
Chapovetsky, Alon, Liu, Jeffrey J., Welborn, Matthew, Luna, John M., Do, Thomas, Haiges, Ralf, Miller III, Thomas F., Marinescu, Smaranda C.
Published in Inorganic chemistry (21.09.2020)
Published in Inorganic chemistry (21.09.2020)
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Journal Article
Li + and Oxidant Addition To Control Ionic and Electronic Conduction in Ionic Liquid-Functionalized Conjugated Polymers
Rawlings, Dakota, Lee, Dongwook, Kim, Jeongmin, Magdău, Ioan-Bogdan, Pace, Gordon, Richardson, Peter M., Thomas, Elayne M., Danielsen, Scott P. O., Tolbert, Sarah H., Miller, III, Thomas F., Seshadri, Ram, Segalman, Rachel A.
Published in Chemistry of materials (06.08.2021)
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Published in Chemistry of materials (06.08.2021)
Journal Article
COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
Dommer, Abigail, Casalino, Lorenzo, Kearns, Fiona, Rosenfeld, Mia, Wauer, Nicholas, Ahn, Surl-Hee, Russo, John, Oliveira, Sofia, Morris, Clare, Bogetti, Anthony, Trifan, Anda, Brace, Alexander, Sztain, Terra, Clyde, Austin, Ma, Heng, Chennubhotla, Chakra, Lee, Hyungro, Turilli, Matteo, Khalid, Syma, Tamayo-Mendoza, Teresa, Welborn, Matthew, Christensen, Anders, Smith, Daniel GA, Qiao, Zhuoran, Sirumalla, Sai K, O’Connor, Michael, Manby, Frederick, Anandkumar, Anima, Hardy, David, Phillips, James, Stern, Abraham, Romero, Josh, Clark, David, Dorrell, Mitchell, Maiden, Tom, Huang, Lei, McCalpin, John, Woods, Christopher, Gray, Alan, Williams, Matt, Barker, Bryan, Rajapaksha, Harinda, Pitts, Richard, Gibbs, Tom, Stone, John, Zuckerman, Daniel M., Mulholland, Adrian J., Miller, Thomas, Jha, Shantenu, Ramanathan, Arvind, Chong, Lillian, Amaro, Rommie E
Published in The international journal of high performance computing applications (01.01.2023)
Published in The international journal of high performance computing applications (01.01.2023)
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Journal Article
Experimental and theoretical determinations of hydrogen isotopic equilibrium in the system CH4H2H2O from 3 to 200 °C
Turner, Andrew C., Korol, Roman, Eldridge, Daniel L., Bill, Markus, Conrad, Mark E., Miller, Thomas F., Stolper, Daniel A.
Published in Geochimica et cosmochimica acta (01.12.2021)
Published in Geochimica et cosmochimica acta (01.12.2021)
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Journal Article
Systematic Computational and Experimental Investigation of Lithium-Ion Transport Mechanisms in Polyester-Based Polymer Electrolytes
Webb, Michael A, Jung, Yukyung, Pesko, Danielle M, Savoie, Brett M, Yamamoto, Umi, Coates, Geoffrey W, Balsara, Nitash P, Wang, Zhen-Gang, Miller, Thomas F
Published in ACS central science (22.07.2015)
Published in ACS central science (22.07.2015)
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Journal Article
Comparison of Experimental vs Theoretical Abundances of 13 CH 3 D and 12 CH 2 D 2 for Isotopically Equilibrated Systems from 1 to 500 °C
Eldridge, Daniel L., Korol, Roman, Lloyd, Max K., Turner, Andrew C., Webb, Michael A., Miller, Thomas F., Stolper, Daniel A.
Published in ACS earth and space chemistry (19.12.2019)
Published in ACS earth and space chemistry (19.12.2019)
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Journal Article