An accurate, non-empirical method for incorporating decoherence into Ehrenfest dynamics von Esch, Michael P., Levine, Benjamin G.

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Simulated evolution of fluorophores for light emitting diodes von Shu, Yinan, Levine, Benjamin G

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Evaluation of the Time-Derivative Coupling for Accurate Electronic State Transition Probabilities from Numerical Simulations von Meek, Garrett A, Levine, Benjamin G

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Isomerization through conical intersections von Levine, Benjamin G, Martínez, Todd J

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H2 roaming chemistry and the formation of H3+ from organic molecules in strong laser fields von Ekanayake, Nagitha, Severt, Travis, Nairat, Muath, Weingartz, Nicholas P., Farris, Benjamin M., Kaderiya, Balram, Feizollah, Peyman, Jochim, Bethany, Ziaee, Farzaneh, Borne, Kurtis, Raju P., Kanaka, Carnes, Kevin D., Rolles, Daniel, Rudenko, Artem, Levine, Benjamin G., Jackson, James E., Ben-Itzhak, Itzik, Dantus, Marcos

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Optimizing Conical Intersections without Derivative Coupling Vectors:  Application to Multistate Multireference Second-Order Perturbation Theory (MS-CASPT2) von Levine, Benjamin G, Coe, Joshua D, Martínez, Todd J

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Configuration interaction singles natural orbitals: an orbital basis for an efficient and size intensive multireference description of electronic excited states von Shu, Yinan, Hohenstein, Edward G, Levine, Benjamin G

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A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units von Snyder, James W., Fales, B. Scott, Hohenstein, Edward G., Levine, Benjamin G., Martínez, Todd J.

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Ab Initio Multiple Spawning Dynamics Using Multi-State Second-Order Perturbation Theory von Tao, Hongli, Levine, Benjamin G, Martínez, Todd J

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Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors von Fales, B. Scott, Shu, Yinan, Levine, Benjamin G., Hohenstein, Edward G.

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Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus von Acharya, Rudresh, Carnevale, Vincenzo, Fiorin, Giacomo, Levine, Benjamin G., Polishchuk, Alexei L., Balannik, Victoria, Samish, Ilan, Lamb, Robert A., Pinto, Lawrence H., DeGrado, William F., Klein, Michael L., Rees, Douglas C.

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Mechanisms and time-resolved dynamics for trihydrogen cation (H3+) formation from organic molecules in strong laser fields von Ekanayake, Nagitha, Nairat, Muath, Kaderiya, Balram, Feizollah, Peyman, Jochim, Bethany, Severt, Travis, Berry, Ben, Pandiri, Kanaka Raju, Carnes, Kevin D., Pathak, Shashank, Rolles, Daniel, Rudenko, Artem, Ben-Itzhak, Itzik, Mancuso, Christopher A., Fales, B. Scott, Jackson, James E., Levine, Benjamin G., Dantus, Marcos

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Self-assembly of coarse-grained ionic surfactants accelerated by graphics processing units von LeBard, David N., Levine, Benjamin G., Mertmann, Philipp, Barr, Stephen A., Jusufi, Arben, Sanders, Samantha, Klein, Michael L., Panagiotopoulos, Athanassios Z.

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Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction von Fales, B. Scott, Seritan, Stefan, Settje, Nick F., Levine, Benjamin G., Koch, Henrik, Martínez, Todd J.

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Ab Initio Molecular Dynamics and Time-Resolved Photoelectron Spectroscopy of Electronically Excited Uracil and Thymine von Hudock, Hanneli R, Levine, Benjamin G, Thompson, Alexis L, Satzger, Helmut, Townsend, D, Gador, N, Ullrich, S, Stolow, Albert, Martínez, Todd J

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Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics von Levine, Benjamin G, LeBard, David N, DeVane, Russell, Shinoda, Wataru, Kohlmeyer, Axel, Klein, Michael L

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Functional Studies and Modeling of Pore-Lining Residue Mutants of the Influenza A Virus M2 Ion Channel von Balannik, Victoria, Carnevale, Vincenzo, Fiorin, Giacomo, Levine, Benjamin G, Lamb, Robert A, Klein, Michael L, DeGrado, William F, Pinto, Lawrence H

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Coherence mapping to identify the intermediates of multi-channel dissociative ionization von Stamm, Jacob, Kwon, Sung, Sandhu, Shawn, Sandhu, Jesse, Levine, Benjamin G., Dantus, Marcos

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Ab Initio Molecular Dynamics of Excited-State Intramolecular Proton Transfer Using Multireference Perturbation Theory von Coe, Joshua D, Levine, Benjamin G, Martínez, Todd J

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General strategy for tuning the Stokes shifts of near infrared cyanine dyes von Zhang, Jun, Moemeni, Mehdi, Yang, Chenchen, Liang, Fangchun, Peng, Wei-Tao, Levine, Benjamin G, Lunt, Richard R, Borhan, Babak

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