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2023 Publications
- Forde, Aaron Arthur; Tretiak, Sergei; Neukirch, Amanda J.. Dielectric Screening and Charge-Transfer in 2D Lead-Halide Perovskites for Reduced Exciton Binding Energies. 2023 10.1021/acs.nanolett.3c03320
- Harmon, Jake Joseph; Tokareva, Svetlana; Zlotnik, Anatoly V.; Swart, Pieter Johan. Adaptive Uncertainty Quantification for Stochastic Hyperbolic Conservation Laws. SIAM/ASA Journal on Uncertainty Quantification 2023 10.48550/arXiv.2401.12880
- Shah, Syed Alamdar Hussain; Clark, Michael Robert; Zyss, Joseph; Sukharev, Maxim, et al. Interplay of gain and loss in arrays of nonlinear plasmonic nanoparticles toward parametric downconversion and amplification. Optics Letters 2023 10.48550/arXiv.2312.06897
- Pachalieva, Aleksandra Atanasova; Hyman, Jeffrey De' Haven; O', et al. Learning the Factors Controlling Mineralization for Geologic Carbon Sequestration. Geoscience Frontiers 2023 10.48550/arXiv.2312.13451
- Cerezo de la Roca, Marco Vinicio Sebastian; Larocca, Martin; Garcia Martin, Diego; Diaz, Nahuel Luciano, et al. Does provable absence of barren plateaus imply classical simulability? Or, why we need to rethink variational quantum computing. Quantum Machine Intelligence 2023 10.48550/arXiv.2312.09121
- Chen, Renai; Gibson, Tammie Renee; Craven, Galen Thomas. Molecular heat transport across an oscillating temperature gradient. Journal of Chemical Physics 2023 10.48550/arXiv.2404.12579
- Wierichs, David ); East, Richard ); Cerezo de la Roca, Marco Vinicio Sebastian; Larocca, Martin, et al. Symmetric derivatives of parametrized quantum circuits. Physical Review X Quantum 2023 10.48550/arXiv.2312.06752
- Parker, Robert Brunato; Nicholson, Bethany L.; Siirola, John D.; Biegler, Lorenz T.. Reshaping block-hierarchical Pyomo models for dynamic optimization applications. 2023 10.1016/j.jprocont.2023.103113
- Harmon, Jake Joseph; Corrado, Jeremiah; Notaros, Branislav. A Refinement-by-Superposition hp-Method for H(curl)- and H(div)-Conforming Discretizations. 2023 10.1109/TAP.2023.3331574
- Suzuki, Fumika; Zurek, Wojciech Hubert. Topological defect formation in weakly first-order phase transition. Physical Review Letters 2023 10.1103/PhysRevLett.132.241601
- Brunner, James Donald; Gallegos-Graves, Laverne A.; Biondi, Thomas Christopher; Kroeger, Marie Elizabeth. Inferring microbial interactions with their environment from genomic and metagenomic data.. 2023 10.1371/journal.pcbi.1011661
- Tran, Brian Kha; Leok, Melvin. Type II Hamiltonian Lie Group Variational Integrators with Applications to Geometric Adjoint Sensitivity Analysis. IMA Journal of Numerical Analysis 2023 10.48550/arXiv.2311.03527
- Tynes, Michael Frederick; Taylor, Michael Gilbert; Janssen, Jan; Burrill, Daniel James, et al. Uncertainty and interpretability: The surprising effectiveness of molecular graphlet linear regression for organic structure property prediction. Digital Discovery 2023
- Sadhasivam, Vijay; Suzuki, Fumika; Yan, Bin; Sinitsyn, Nikolai. Dynamical phase transitions in ultracold chemistry. Nature Communications 2023
- Sorokin, Aleksei Gregory; Pachalieva, Aleksandra Atanasova; O' Malley, Daniel, et al. Computationally Efficient and Error Aware Surrogate Construction for Numerical Solutions of Subsurface Flow Through Porous Media. Advances in Water Resources 2023 10.48550/arXiv.2310.13765
- Sodwatana, Mo; Kazi, Saif Rahaman; Sundar, Kaarthik; Zlotnik, Anatoly V.. Locational Marginal Pricing of Energy in Pipeline Transport of Natural Gas and Hydrogen with Carbon Offset Incentives. IEEE Transactions on Energy Markets, Policy and Regulation 2023 10.48550/arXiv.2310.13181
- Ecke, Robert Everett; Shishkina, Olga; Zhang, Xuan; Reiter, Philipp. Wall modes and the transition to bulk convection in rotating Rayleigh-Bénard convection. Physical Review Fluids 2023 10.48550/arXiv.2310.19044
- Pachalieva, Aleksandra Atanasova; Sweeney, Matthew Ryan; Viswanathan, Hari S.; Stein, Emily, et al. Impact of artificial topological changes on flow and transport through fractured media due to mesh resolution. 2023 10.1007/s10596-023-10253-y
- Cerezo de la Roca, Marco Vinicio Sebastian; Diaz, Nahuel Luciano; Kazi, Sujay; Garcia Martin, Diego, et al. Showcasing a Barren Plateau Theory Beyond the Dynamical Lie Algebra. Physical Review Letters 2023 10.48550/arXiv.2310.11505
- Chen, Renai; Dinpajooh, Mohammadhasan; Nitzan, Abraham. Quantum bath augmented stochastic nonequilibrium atomistic simulations for molecular heat conduction. 2023 10.1063/5.0168117
- Garrett, Noah R.; Davis, Megan Christina; Fortenberry, Ryan C.. DFT+F12 QFFs for Cost Effective Rovibrational Spectral Predictions of Ground and Excited Electronic States. Journal of Computational Chemistry 2023 10.1021/acs.jctc.3c01179
- Reichert, Moritz; Winteler, Christian; Korobkin, Oleg; Arcones, Almudena, et al. The nuclear reaction network WinNet. 2023 10.3847/1538-4365/acf033
- Forde, Aaron Arthur; Evans, Amanda Christine; Nie, Wanyi; Tretiak, Sergei, et al. Molecular Properties Controlling Chirality Transfer to Halide Perovskite: Computational Insights. 2023 10.1039/D3TC02248J
- Mallela, Abhishek; Lin, Yen Ting; Hlavacek, William Scott. Differential contagiousness of respiratory disease across the United States. 2023 10.1016/j.epidem.2023.100718
- Zhang, Xiaoyu; Chioar, Ioan-Augustin; Fitez, Grant; Hurben, Anthony, et al. Artificial Magnetic Tripod Ice. 2023 10.1103/PhysRevLett.131.126701
- Mora Perez, Carlos Adrian; Prezhdo, Oleg V.; Menachekanian, Sevan; Pennathur, Anuj K., et al. Phenol as a Tethering Group to Gold Surfaces: Stark Response and Comparison to Benzenethiol. 2023 10.1021/acs.jpclett.3c02058
- Saccone, Michael Douglas; Caravelli, Francesco. Complex field reversal dynamics in nanomagnetic systems. 2023 10.1098/rspa.2023.0097
- Cerezo de la Roca, Marco Vinicio Sebastian; Ragone, Michael; Bakalov, Bojko; Larocca, Martin, et al. A Unified Theory of Barren Plateaus for Deep Parametrized Quantum Circuits. Nature Physics 2023
- Chen, Renai; Gibson, Tammie Renee; Craven, Galen Thomas. Energy transport between heat baths with oscillating temperatures. 2023 10.1103/PhysRevE.108.024148
- Piryatinski, Andrei; Bittner, Eric R.; Shah, Syed Alamdar Hussain; Li, Hao, et al. Correlated noise enhances coherence and fidelity in coupled qubits. Philosophical Magazine 2023 10.48550/arXiv.2308.00841
- Shah, Syed Alamdar Hussain; Li, Hao; Bittner, Eric R; Silva, Carlos, et al. QuDPy: A Python-based Tool For Computing Ultrafast Non-linear Optical Responses. 2023 10.1016/j.cpc.2023.108891
- Marcato, Agnese; Estrada Santos, Javier Andres; Liu, Chaoyue; Boccardo, Gianluca, et al. Modeling the 4D discharge of lithium-ion batteries with a multiscale time-dependent deep learning framework. 2023 10.1016/j.ensm.2023.102927
- Saccone, Michael Douglas; Van den Berg, Arjen; Harding, Edward; Singh, Shobna, et al. Exploring the phases of 3D artificial spin ice: From Coulomb phase to magnetic monopole crystal. 2023 10.1038/s42005-023-01338-2
- Parker, Robert Brunato; Nicholson, Bethany L.; Siirola, John D.; Biegler, Lorenz T.. Applications of the Dulmage-Mendelsohn decomposition to debugging nonlinear optimization problems. 2023 10.1016/j.compchemeng.2023.108383
- Dahlbom, David; Zhang, Hao; Laraib, Zoha; Pajerowski, Daniel M., et al. Renormalized Classical Theory of Quantum Magnets. Physical Review Letters 2023 10.48550/arXiv.2304.03874
- Sharma, Vidushi; Collins, Lee A.; White, Alexander James. Stochastic and Mixed Density Functional Theory within the projector augmented wave formalism for the simulation of warm dense matter. 2023 10.1103/PhysRevE.108.L023201
- Schimming, Cody Dylan; Reichhardt, Cynthia Jane; Reichhardt, Charles. Friction mediated phase transition in confined active nematics. 2023 10.1103/PhysRevE.108.L012602
- Matin, Sakib; Allen, Alice Elisabeth Anastasia; Smith, Justin S. ); Lubbers, Nicholas Edward, et al. Machine learning potentials with Iterative Boltzmann Inversion: training to experiment. Chemical Science 2023 10.48550/arXiv.2307.04712
- Allen, Alice Elisabeth Anastasia; Smith, Justin; Lubbers, Nicholas Edward; Matin, Sakib, et al. Learning Together: Towards foundational models for machine learning interatomic potentials with meta-learning. Journal of Chemical Theory and Computation 2023 10.48550/arXiv.2307.04012
- Holmbeck, Erika M.; Barnes, Jennifer; Lund, Kelsey Alexandra; Sprouse, Trevor Michael, et al. Superheavy Elements in Kilonovae. 2023 10.3847/2041-8213/acd9cb
- Klein, William; Gould, Harvey; Matin, Sakib. Cluster Scaling and Critical Points: A Cautionary Tale. 2023 10.1103/PhysRevE.108.034119
- Miller, Ely F.; Neumann, Jacob; Chen, Ye; Mallela, Abhishek, et al. Quantification of early nonpharmaceutical interventions aimed at slowing transmission of Coronavirus Disease 2019 in the Navajo Nation and surrounding states (Arizona, Colorado, New Mexico, and Utah). 2023 10.1371/journal.pgph.0001490
- Zhang, Hao; Wang, Zhentao; Dahlbom, David Adam; Barros, Kipton Marcos, et al. CP2 skyrmions and skyrmion crystals in realistic quantum magnets. 2023 10.1038/s41467-023-39232-8
- Mora Perez, Carlos Adrian; Prezhdo, Oleg V.; Kambhampati, Patanjali; Strandell, Dallas, et al. Excitonic Quantum Coherence in Light Emission from Perovskite Nanocrystals. Science 2023 10.1021/acs.nanolett.3c03180
- Goh, Matthew; Cincio, Lukasz; Larocca, Martin; Cerezo de la Roca, Marco Vinicio Sebastian, et al. Efficient classical simulation of quantum neural networks with Lie-algebraic methods. arXiv, Quantum 2023
- Schimming, Cody Dylan; Vinals, Jorge. Kinematics and dynamics of disclination lines in three-dimensional nematics. 2023 10.1098/rspa.2023.0042
- Mamud, Md Lal; Karra, S.; Mudunuru, Maruti K.; Ahmmed, Bulbul. Do Physics-informed Neural Networks Satisfy Local and Global Mass Balance?. Scientific Reports 2023 10.21203/rs.3.rs-2895681/v1
- Cerezo de la Roca, Marco Vinicio Sebastian; Larocca, Martin; Garcia Martin, Diego. Deep quantum neural networks form Gaussian processes. Nature Physics 2023
- Tovar, Eric Joseph; Guermond, Jean-Luc; Clayton, Bennett; Maier, Matthias, et al. ROBUST SECOND-ORDER APPROXIMATION OF THE COMPRESSIBLE EULER EQUATIONS WITH AN ARBITRARY EQUATION OF STATE. 2023 10.1016/j.jcp.2023.111926
- Jayakumar, Abhijith; Vuffray, Marc Denis; Lokhov, Andrey. Learning Energy Based Representations of Quantum Many-Body States. Nature Physics 2023 10.48550/arXiv.2304.04058
- Kannan, Rohit; Nagarajan, Harsha; Deka, Deepjyoti. Learning to Accelerate the Global Optimization of Quadratically-Constrained Quadratic Programs. SIAM Journal on Optimization 2023 10.48550/arXiv.2301.00306
- Turan, Evren M; Jaschke, Johannes; Kannan, Rohit. Optimality-Based Discretization Methods for the Global Optimization of Nonconvex Semi-Infinite Programs. Mathematical Programming 2023 10.48550/arXiv.2303.00219
- Kazi, Sujay; Cerezo de la Roca, Marco Vinicio Sebastian; Larocca, Martin. Subspace controllability and failure of universality of Sn-equivariant k-body gates. NPJ Quantum Information 2023
- Lund, Kelsey Alexandra; Engel, Jon; McLaughlin, G. C.; Mumpower, Matthew Ryan, et al. The Influence of Beta-Decay Rates on r-Process Observables. 2023 10.3847/1538-4357/acaf56
- Barker, Brandon Lynn; O' Connor, Evan; Couch, Sean. Inferring Type II-P Supernova Progenitor Masses from Plateau Luminosities. 2023 10.3847/2041-8213/acb052
- Marcato, Agnese; Estrada Santos, Javier Andres; Boccardo, Gianluca; Viswanathan, Hari S., et al. Prediction of local concentration fields in porous media with chemical reaction using a multi scale convolutional neural network. 2023 10.1016/j.cej.2022.140367
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