Ab Initio Nonadiabatic Quantum Molecular Dynamics von Curchod, Basile F. E, Martínez, Todd J

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Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15 von Wang, Lee-Ping, McKiernan, Keri A, Gomes, Joseph, Beauchamp, Kyle A, Head-Gordon, Teresa, Rice, Julia E, Swope, William C, Martínez, Todd J, Pande, Vijay S

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Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver von Parrish, Robert M, Hohenstein, Edward G, McMahon, Peter L, Martínez, Todd J

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How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O‑Methyltransferase von Kulik, Heather J, Zhang, Jianyu, Klinman, Judith P, Martínez, Todd J

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Ab Initio Reactive Computer Aided Molecular Design von Martínez, Todd J

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A multi-stage single photochrome system for controlled photoswitching responses von Stricker, Friedrich, Sanchez, David M., Raucci, Umberto, Dolinski, Neil D., Zayas, Manuel S., Meisner, Jan, Hawker, Craig. J., Martínez, Todd. J., Read de Alaniz, Javier

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Identifying functional populations among the interneurons in laminae I-III of the spinal dorsal horn von Todd, Andrew J

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Mechanically triggered heterolytic unzipping of a low-ceiling-temperature polymer von Diesendruck, Charles E., Peterson, Gregory I., Kulik, Heather J., Kaitz, Joshua A., Mar, Brendan D., May, Preston A., White, Scott R., Martínez, Todd J., Boydston, Andrew J., Moore, Jeffrey S.

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Repetitive DNA and next-generation sequencing: computational challenges and solutions von Treangen, Todd J., Salzberg, Steven L.

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Reduced scaling extended multi-state CASPT2 (XMS-CASPT2) using supporting subspaces and tensor hyper-contraction von Song, Chenchen, Martínez, Todd J.

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Predicting the X‑ray Absorption Spectrum of Ozone with Single Configuration State Functions von Hait, Diptarka, Martínez, Todd J.

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Population genomics of Fusarium graminearum reveals signatures of divergent evolution within a major cereal pathogen von Kelly, Amy C, Ward, Todd J

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Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum Models von Liu, Fang, Luehr, Nathan, Kulik, Heather J, Martínez, Todd J

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Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction von Song, Chenchen, Martínez, Todd J.

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Neuronal circuitry for pain processing in the dorsal horn von Todd, Andrew J

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In Silico Discovery of Multistep Chemistry Initiated by a Conical Intersection: The Challenging Case of Donor–Acceptor Stenhouse Adducts von Sanchez, David M, Raucci, Umberto, Martínez, Todd J

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The Harvest suite for rapid core-genome alignment and visualization of thousands of intraspecific microbial genomes von Treangen, Todd J, Ondov, Brian D, Koren, Sergey, Phillippy, Adam M

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TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations von Seritan, Stefan, Thompson, Keiran, Martínez, Todd J

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Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning von Rana, Bhaskar, Hohenstein, Edward G., Martínez, Todd J.

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The Acute Treatment of Migraine in Adults: The American Headache Society Evidence Assessment of Migraine Pharmacotherapies von Marmura, Michael J., Silberstein, Stephen D., Schwedt, Todd J.

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