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2022 Publications
- Pachalieva, Aleksandra Atanasova; Pavel, Robert Stephen; Estrada Santos, Javier Andres; Diaw, Abdourahmane, et al. GLUE Code: A framework handling communication and interfaces between scales. 2022 10.21105/joss.04822
- Leone, Lorenzo; Oliviero, Salvatore; Hamma, Alioscia; Lloyd, Seth. Black Hole complexity, unscrambling, and stabilizer thermal machines. Physical Review Letters 2022 10.48550/arXiv.2212.11337
- Leone, Lorenzo; Oliviero, Salvatore; Hamma, Alioscia; Lloyd, Seth. Black Hole complexity, unscrambling, and stabilizer thermal machines. Physical Review Letters 2022 10.48550/arXiv.2212.11337
- Li, Bo; Jones, Zachary Robert; Eiroa Lledo, Cecilia; Knope, Karah Elise, et al. Structure and Dynamics of NaCl/KCl/CaCl2-EuCln (n=2, 3) Molten Salts. Inorganic Chemistry 2022 10.1021/acs.inorgchem.2c03982
- Liu, Lei; Estrada Santos, Javier Andres; Prodanovic, Masa; Pyrcz, Michael. Mitigation of Spatial Nonstationarity with Vision Transformers. Computers & Geosciences 2022 10.1016/j.cageo.2023.105412
- Weijer, Wilbert; Haine, Thomas W. N.; Siddiqui, Ali H.; Cheng, Wei, et al. INTERACTIONS BETWEEN THE ARCTIC MEDITERRANEAN AND THE ATLANTIC MERIDIONAL OVERTURNING CIRCULATION A REVIEW. Oceanography ; 35 ; 3-4 ; December 2022 2022 10.5670/oceanog.2022.130
- Kadeethum, Teeratorn; Ballarin, Francesco; O’Malley, Daniel; Choi, Youngsoo, et al. Reduced order modeling for flow and transport problems with Barlow Twins self-supervised learning. Scientific Reports ; 12 ; 1 ; 20654 ; December 2022 2022 10.1038/s41598-022-24545-3
- Allen, Alice Elisabeth Anastasia; Tkatchenko, Alexandre. Constructing Effective Machine Learning Models for the Sciences: A Multidisciplinary Perspective. Nature Machine Intelligence 2022 10.48550/arXiv.2211.11680
- Alonso, Ivan; Alpigiani, Cristiano; Altschul, Brett; Araujo, Henrique, et al. Cold atoms in space: community workshop summary and proposed road-map. EPJ QUANTUM TECHNOLOGY ; 9 ; 1 ; 30 ; DEC 2022 2022 10.1140/epjqt/s40507-022-00147-w
- Leone, Lorenzo; Oliviero, Salvatore; hamma, alioscia. Learning a quantum scrambler decoder almost to quantum chaos. Nature Communications 2022
- Gonzalez, David Gustavo; Wang, Gaoxue; Batista, Enrique Ricardo; Yang, Ping. Surface oxidation as a hidden factor in determining nanoparticle morphology. Chemistry of Materials 2022
- Pachalieva, Aleksandra; O' Malley, Daniel; Harp, Dylan Robert, et al. Physics-informed machine learning with differentiable programming for heterogeneous underground reservoir pressure management. SCIENTIFIC REPORTS ; 12 ; 1 ; 18734 ; NOV 4 2022 2022 10.1038/s41598-022-22832-7
- Weijer, Wilbert; Haine, Thomas; Siddiqui, Ali; Cheng, Wei, et al. Interactions between the Arctic and the AMOC: A Review. 2022 10.5670/oceanog.2022.130
- Yan, Bin; Zurek, Wojciech H.. Decoherence factor as a convolution: an interplay between a Gaussian and an exponential coherence loss. New Journal of Physics ; 24 ; 11 ; 113029 ; 1 November 2022 2022 10.1088/1367-2630/ac9fe8
- Cerezo de la Roca, Marco Vinicio Sebastian; Leone, Lorenzo; Oliviero, Salvatore; Cincio, Lukasz. On the practical usefulness of the Hardware Efficient Ansatz. Quantum Science and Technology 2022 10.22331/q-2024-07-03-1395
- Estrada Santos, Javier Andres; Fox, Zachary; Mohan, Arvind Thanam; Viswanathan, Hari S., et al. The Senseiver: attention-based global field reconstruction from sparse observations. nature machine intelligence 2022 https://www.researchgate.net/publication/366811079_The_Senseiver_attention-based_global_field_reconstruction_from_sparse_observations
- Cen, Julia; Malla, Rajesh; de Melo Kort-Kamp, Wilton Junior; Saxena, Avadh Behari. Linearly driven non-Hermitian quantum systems. Physical Review A 2022 https://ui.adsabs.harvard.edu/abs/2023APS..MARTT6002C/abstract
- Cen, Julia; Joglekar, Yogesh; Saxena, Avadh Behari. PT and Anti-PT-symmetric Systems with Two Time-periodic Drives of Different Frequencies. Physical Review Research 2022 https://arxiv.org/pdf/2301.06255
- Ecke, Robert Everett; Shishkina, Olga. Turbulent rotating Rayleigh-Bénard convection. 2022 10.1146/annurev-fluid-120720-020446
- Ecke, Robert Everett; Shishkina, Olga. Turbulent rotating Rayleigh-Bénard convection. 2022 10.1146/annurev-fluid-120720-020446
- Wang, Kun; Johnson, Christopher William; Bennett, Kane; Johnson, Paul Allan. The temporal limits of predicting fault failure. 2022 10.1029/2022GL098233
- Wang, Kun; Johnson, Christopher William; Bennett, Kane; Johnson, Paul Allan. The temporal limits of predicting fault failure. 2022 10.1029/2022GL098233
- Wang, Kun; Johnson, Christopher W.; Bennett, Kane C.; Johnson, Paul A.. Predicting Future Laboratory Fault Friction Through Deep Learning Transformer Models. GEOPHYSICAL RESEARCH LETTERS ; 49 ; 19 ; e2022GL098233 ; OCT 16 2022 2022 10.1029/2022GL098233
- Cerezo de la Roca, Marco Vinicio Sebastian; Ragone, Michael; Braccia, Paolo; Nguyen, Quynh T., et al. Representation Theory for Geometric Quantum Machine Learning. Quantum 2022 10.48550/arXiv.2210.07980
- Goldberg, Emma Elizabeth; van Dorp, Christiaan Hendrik; Ke, Ruian; Hengartner, Nicolas W., et al. Global estimates of the fitness advantage of SARS-CoV-2 variant Omicron. 2022 10.1093/ve/veac089
- Forde, Aaron; Lystrom, Levi; Sun, Wenfang; Kilin, Dmitri, et al. Improving Near-Infrared Emission of meso-Aryldipyrrin Indium(III) Complexes via Annulation Bridging: Excited-State Dynamics. Journal of Physical Chemistry Letters ; 13 ; 39 ; 9210-9220 ; 6 October 2022 2022 10.1021/acs.jpclett.2c02115
- Ngo, Van A.; Garcia, Angel E.. Millisecond molecular dynamics simulations of KRas-dimer formation and interfaces. BIOPHYSICAL JOURNAL ; 121 ; 19 ; 3730-3744 ; OCT 4 2022 2022 10.1016/j.bpj.2022.04.026
- Estrada Santos, Javier Andres; Chang, Bernard; Gigliotti, Alex; Yin, Ying, et al. DRP-372: A Dataset of 3D Structural and Simulated Transport Properties of Complex Porous Media. 2022 10.1038/s41597-022-01664-0
- Santos, Javier E.; Chang, Bernard; Gigliotti, Alex; Yin, Ying, et al. A Dataset of 3D Structural and Simulated Transport Properties of Complex Porous Media. SCIENTIFIC DATA ; 9 ; 1 ; 579 ; OCT 3 2022 2022 10.1038/s41597-022-01664-0
- Hyman, Jeffrey D.; Sweeney, Matthew R.; Gable, Carl W.; Svyatsky, Daniil, et al. Flow and transport in three-dimensional discrete fracture matrix models using mimetic finite difference on a conforming multi-dimensional mesh. JOURNAL OF COMPUTATIONAL PHYSICS ; 466 ; 111396 ; OCT 1 2022 2022 10.1016/j.jcp.2022.111396
- Arrasmith, Andrew; Holmes, Zoe; Cerezo, M.; Coles, Patrick J.. Equivalence of quantum barren plateaus to cost concentration and narrow gorges. QUANTUM SCIENCE AND TECHNOLOGY ; 7 ; 4 ; 045015 ; OCT 1 2022 2022 10.1088/2058-9565/ac7d06
- Rupe, Adam; Vesselinov, Velimir V.; Crutchfield, James P.. Nonequilibrium statistical mechanics and optimal prediction of partially-observed complex systems. NEW JOURNAL OF PHYSICS ; 24 ; 10 ; 103033 ; OCT 1 2022 2022 10.1088/1367-2630/ac95b7
- Malla, Rajesh Kumar. Nonadiabatic dissociation of molecular condensates: competition between multi-mode reaction channels. 2022 10.1103/PhysRevA.106.033318
- Larocca, Martin; Czarnik, Piotr; Sharma, Kunal; Muraleedharan, Gopikrishnan, et al. Diagnosing barren plateaus with tools from quantum optimal control. QUANTUM ; 6 ; SEP 27 2022 2022 10.22331/Q-2022-09-29-824
- Forde, Aaron Arthur; Freixas, Victor M.; Fernandez-Alberti, Sebastian; Neukirch, Amanda J., et al. Charge-Transfer Luminescence in a Molecular Donor-Acceptor Complex: Computational Insights. 2022 10.1021/acs.jpclett.2c02479
- Forde, Aaron; Freixas, Victor M.; Fernandez-Alberti, Sebastian; Neukirch, Amanda J., et al. Charge-Transfer Luminescence in a Molecular Donor-Acceptor Complex: Computational Insights. JOURNAL OF PHYSICAL CHEMISTRY LETTERS ; 13 ; 37 ; 8755-8760 ; SEP 22 2022 2022 10.1021/acs.jpclett.2c02479
- Cerezo, M.; Sharma, Kunal; Arrasmith, Andrew; Coles, Patrick J.. Variational quantum state eigensolver. NPJ QUANTUM INFORMATION ; 8 ; 1 ; 113 ; SEP 21 2022 2022 10.1038/s41534-022-00611-6
- Dhaubhadel, Sayera; Kolade, Beauty Ayomide; Ribeiro, Ruy Miguel; Ganguly, Kumkum, et al. MACE prediction using high-dimensional machine learning and mechanistic understanding: A longitudinal cohort study in US veterans. PLOS Medicine 2022
- Dhaubhadel, Sayera; Ganguly, Kumkum; Ribeiro, Ruy Miguel; Bhattacharya, Tanmoy, et al. The impact of study design and methodology on high dimensional predictions of suicide risk in millions of US Veterans. PLOS Medicine 2022
- Dhaubhadel, Sayera; Cuellar-Hengartner, Leticia; Hengartner, Nicolas W.; Ganguly, Kumkum, et al. Predicting fifteen year all-cause mortality from VA medical records. PLoS Medicine 2022
- McNeece, Andrew John; Jaros, Adam; Batista, Enrique Ricardo; Yang, Ping, et al. Hydrazine Energy Storage: Displacing N2H4 from the Metal Coordination Sphere. 2022 10.1002/cssc.202200840
- Temizel, Cenk; Odi, Uchenna; Balaji, Karthik; Aydin, Hakki, et al. Classifying Facies in 3D Digital Rock Images Using Supervised and Unsupervised Approaches. Energies 2022 10.3390/en15207660
- Cerezo de la Roca, Marco Vinicio Sebastian; Larocca, Martin; Sauvage, Frederic Antoine; Verdon, Guillaume, et al. Group-Invariant Quantum Machine Learning Models. 2022 10.1103/PRXQuantum.3.030341
- Larocca, Martin; Sauvage, Frederic; Sbahi, Faris M.; Verdon, Guillaume, et al. Group-Invariant Quantum Machine Learning. PRX QUANTUM ; 3 ; 3 ; 030341 ; SEP 19 2022 2022 10.1103/PRXQuantum.3.030341
- Fontana, Enrico; Cerezo, M.; Arrasmith, Andrew; Rungger, Ivan, et al. Non-trivial symmetries in quantum landscapes and their resilience to quantum noise. QUANTUM ; 6 ; 08763v3 ; SEP 15 2022 2022 10.22331/Q-2022-09-15-804
- Wang, Kun; Bennett, Kane. Learning particle physics simulations with physics-informed convolutional encoder-decoders. Journal of Computational Physics 2022
- Malla, Rajesh Kumar; Mikhail, M E. Landau-Zener transition between two levels coupled to continuum. 2022 10.1016/j.physleta.2022.128249
- Malla, Rajesh K.; Raikh, M. E.. Landau-Zener transition between two levels coupled to continuum. Physics Letters, Section A: General, Atomic and Solid State Physics ; 445 ; 128249 ; 5 September 2022 2022 10.1016/j.physleta.2022.128249
- Sanche, Steven; Cassidy, Tyler; Chu, Pinghan; Perelson, Alan S., et al. A simple model of COVID-19 explains disease severity and the effect of treatments. SCIENTIFIC REPORTS ; 12 ; 1 ; 14210 ; AUG 20 2022 2022 10.1038/s41598-022-18244-2
- Shastry, Abhay; Jayakumar, Abhijith; Bhattacharyya, Chiranjib; Patel, Apoorva. Reliable Quantum Kernel Classification using fewer Circuit Evaluations. Physical Review X 2022 https://deepai.org/publication/reliable-quantum-kernel-classification-using-fewer-circuit-evaluations
- López, Cesar A.; Zhang, Xiaohua; Aydin, Fikret; Shrestha, Rebika, et al. Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale Framework. Journal of chemical theory and computation ; 18 ; 8 ; 5025-5045 ; 9 August 2022 2022 10.1021/acs.jctc.2c00168
- Patel, Lara A.; Chau, Phuong; Debesai, Serena; Darwin, Leah, et al. Drug Discovery by Automated Adaptation of Chemical Structure and Identity. Journal of Chemical Theory and Computation ; 18 ; 8 ; 5006-5024 ; 9 August 2022 2022 10.1021/acs.jctc.1c01271
- Yue, Wen-Cheng; Yuan, Zixiong; Lyu, Yang-Yang; Dong, Sining, et al. Crystallizing Kagome Artificial Spin Ice. PHYSICAL REVIEW LETTERS ; 129 ; 5 ; 057202 ; JUL 29 2022 2022 10.1103/PhysRevLett.129.057202
- Harris, Joseph; Yan, Bin; Sinitsyn, Nikolai A.. Benchmarking Information Scrambling. Physical Review Letters ; 129 ; 5 ; 050602 ; 29 July 2022 2022 10.1103/PhysRevLett.129.050602
- Sharma, Vidushi; Bein, Benjamin; Lai, Amanda; Pamuk, Betul, et al. Photocatalytic water oxidation on SrTiO3 [001] surfaces. 2022 10.1103/PRXEnergy.1.023002
- Song, Wenhui; Prodanovic, Masa; Estrada Santos, Javier Andres; Yao, Jun, et al. Upscaling of Transport Properties in Complex Hydraulic Fracture Systems. SPE Journal 2022 10.2118/212849-PA
- Pan, Wen; Jo, Honggeun; Estrada Santos, Javier Andres; Torres-Verdin, Carlos, et al. Hierarchical Machine Learning Workflow for Conditional and Multiscale Deepwater Reservoir Modeling. AAPG Bulletin 2022 10.1306/05162221022
- Yan, Bin; Sinitsyn, Nikolai. An adiabatic oracle for Grover’s algorithm. Physical Review Letters 2022 10.48550/arXiv.2207.05665
- Malla, Rajesh K.; Raikh, M. E.. Effect of decay of the final states on the probabilities of the Landau-Zener transitions in multistate nonintegrable models. PHYSICAL REVIEW A ; 106 ; 1 ; 012203 ; JUL 6 2022 2022 10.1103/PhysRevA.106.012203
- Sasaki, Hirokazu; Takiwaki, Tomoya. A detailed analysis of the dynamics of fast neutrino flavor conversions with scattering effects. PROGRESS OF THEORETICAL AND EXPERIMENTAL PHYSICS ; 2022 ; 7 ; 073E01 ; JUL 5 2022 2022 10.1093/ptep/ptac082
- Zhou, Guoqing; Lubbers, Nicholas; Barros, Kipton; Tretiak, Sergei, et al. Deep learning of dynamically responsive chemical Hamiltonians with semiempirical quantum mechanics. Proceedings of the National Academy of Sciences of the United States of America ; 119 ; 27 ; e2120333119 ; 5 July 2022 2022 10.1073/pnas.2120333119
- Forgacs, P.; Libal, A.; Reichhardt, C.; Hengartner, N., et al. Using active matter to introduce spatial heterogeneity to the susceptible infected recovered model of epidemic spreading. SCIENTIFIC REPORTS ; 12 ; 1 ; 11229 ; JUL 4 2022 2022 10.1038/s41598-022-15223-5
- Reichhardt, Charles; Reichhardt, Cynthia Jane; Hengartner, Nicolas W.; Libal, Andras, et al. Using Active Matter to Introduce Spatial Heterogeneity to the S I R Model of Epidemic Speading. 2022 10.1038/s41598-022-15223-5
- Sadler, James David; Li, Hui. Role of self-generated magnetic fields in the inertial fusion ignition threshold. 2022 10.1063/5.0091529
- Girolami, Davide; Touil, Akram; Yan, Bin; Deffner, Sebastian, et al. Redundantly Amplified Information Suppresses Quantum Correlations in Many-Body Systems. PHYSICAL REVIEW LETTERS ; 129 ; 1 ; 010401 ; JUL 1 2022 2022 10.1103/PhysRevLett.129.010401
- Ghosh, Dibyajyoti; Perez, Carlos Mora; Prezhdo, Oleg; Nie, Wanyi, et al. Impact of composition engineering on charge carrier cooling in hybrid perovskites: computational insights. JOURNAL OF MATERIALS CHEMISTRY C ; 10 ; 25 ; 9563-9572 ; JUN 30 2022 2022 10.1039/d2tc01413k
- Bright, Eleanor Lawrence; Xu, Lei; Harding, M. Lottie; Springell, Ross, et al. Resonant inelastic x-ray scattering of U3O8 and UN. Physical Review B 2022
- Perez, Carlos Mora; Ghosh, Dibyajyoti; Prezhdo, Oleg; Nie, Wanyi, et al. Point Defects in Two-Dimensional Ruddlesden-Popper Perovskites Explored with Ab Initio Calculations. JOURNAL OF PHYSICAL CHEMISTRY LETTERS ; 13 ; 23 ; 5213-5219 ; JUN 16 2022 2022 10.1021/acs.jpclett.2c00575
- Li, Qiao-qiao; Yan, Luo; Chu, Weibin; He, Junjie, et al. Control of Polaronic Behavior and Carrier Lifetimes via Metal and Anion Alloying in Chalcogenide Perovskites. JOURNAL OF PHYSICAL CHEMISTRY LETTERS ; 13 ; 22 ; 4955-4962 ; JUN 9 2022 2022 10.1021/acs.jpclett.2c00880
- van Dorp, Christiaan; Goldberg, Emma Elizabeth; Ke, Ruian; Hengartner, Nicolas W., et al. Global estimates of the fitness advantage of SARS-CoV-2 variant Omicron. Virus Evolution 2022
- Krotz, Johannes; Sweeney, Matthew R.; Gable, Carl W.; Hyman, Jeffrey D., et al. Variable resolution Poisson-disk sampling for meshing discrete fracture networks. Journal of Computational and Applied Mathematics ; 407 ; 114094 ; June 2022 2022 10.1016/j.cam.2022.114094
- Santos, Javier E.; Gigliotti, Alex; Bihani, Abhishek; Landry, Christopher, et al. MPLBM-UT: Multiphase LBM library for permeable media analysis. SoftwareX ; 18 ; 101097 ; June 2022 2022 10.1016/j.softx.2022.101097
- Cen, Julia; Correa, Francisco; Fring, Andreas; Taira, Takanobu. Stability in integrable nonlocal nonlinear equations. 2022 10.1016/j.physleta.2022.128060
- Cen, Julia; Correa, Francisco; Fring, Andreas; Taira, Takanobu. Stability in integrable nonlocal nonlinear equations. Physics Letters, Section A: General, Atomic and Solid State Physics ; 435 ; 128060 ; 30 May 2022 2022 10.1016/j.physleta.2022.128060
- Prodanovic, Masa; Esteva, Maria; McClure, James; Chang, Bernard, et al. Digital Rocks Portal(Digital Porous Media): connecting data, simulation and community. Society of Core Analysts 2022 10.1051/e3sconf/202336701010
- Estrada Santos, Javier Andres; Gigliotti, Alex; Bihani, Abhishek; Landry, Christopher, et al. MPLBM-UT: Multiphase LBM library for permeable media analysis. 2022 10.1016/j.softx.2022.101097
- Sharma, Kunal; Cerezo, M.; Cincio, Lukasz; Coles, Patrick J.. Trainability of Dissipative Perceptron-Based Quantum Neural Networks. PHYSICAL REVIEW LETTERS ; 128 ; 18 ; 180505 ; MAY 6 2022 2022 10.1103/PhysRevLett.128.180505
- Sadler, James David; Green, Samuel Joseph; Li, Shengtai; Flippo, Kirk Adler, et al. Faster ablative Kelvin-Helmholtz growth in a magnetic field. 2022 10.1063/5.0082610
- Sadler, James D.; Green, Samuel; Li, Shengtai; Zhou, Ye, et al. Faster ablative Kelvin-Helmholtz instability growth in a magnetic field. Physics of Plasmas ; 29 ; 5 ; 052708 ; 1 May 2022 2022 10.1063/5.0082610
- Yan, Bin; Sinitsyn, Nikolai A.. Analytical solution for nonadiabatic quantum annealing to arbitrary Ising spin Hamiltonian. NATURE COMMUNICATIONS ; 13 ; 1 ; 2212 ; APR 25 2022 2022 10.1038/s41467-022-29887-0
- Malla, Rajesh Kumar; Raikh, M E. E ect of decay of the nal states on the probabilities of the Landau-Zener transitions in multistate non-integrable models. Physical Review B 2022 10.1103/PhysRevA.106.012203
- Fox, Zachary R.; Fletcher, Steven; Fraisse, Achille; Aditya, Chetan, et al. Enabling reactive microscopy with MicroMator. NATURE COMMUNICATIONS ; 13 ; 1 ; 2199 ; APR 22 2022 2022 10.1038/s41467-022-29888-z
- Shrestha, Shreetu; Li, Xinxin; Tsai, Hsinhan; Hou, Cheng-Hung, et al. Long carrier diffusion length in two-dimensional lead halide perovskite single crystals. Chem ; 8 ; 4 ; 1107-1120 ; 14 April 2022 2022 10.1016/j.chempr.2022.01.008
- Kasper, Joseph Michael; Li, Xiaosong; Kozimor, Stosh Anthony; Batista, Enrique Ricardo, et al. On the Relativistic Effects in Modeling the Ligand K-edge XANES of Uranium Complexes. 2022 10.1021/acs.jctc.1c00851
- Messerly, Richard A.; Yoon, Tae Jun; Jadrich, Ryan B.; Currier, Robert P., et al. Elucidating the temperature and density dependence of silver chloride hydration numbers in high-temperature water vapor: A first-principles molecular simulation study. Chemical Geology ; 594 ; 120766 ; 5 April 2022 2022 10.1016/j.chemgeo.2022.120766
- Rosenberger, David; Barros, Kipton; Germann, Timothy C.; Lubbers, Nicholas. Machine learning of consistent thermodynamic models using automatic differentiation. PHYSICAL REVIEW E ; 105 ; 4 ; 045301 ; APR 1 2022 2022 10.1103/PhysRevE.105.045301
- Jin, Peng; Zhang, Xitong; Chen, Yinpeng; Huang, Sharon Xiaolei, et al. Unsupervised Learning of Full-Waveform Inversion: Connecting CNN and Partial Differential Equation in a Loop. arXiv:2110.07584 [physics] 2022 http://arxiv.org/abs/2110.07584
- Park, Sungwoo; Gupta, Rajan; Yoon, Boram; Mondal, Santanu, et al. Precision nucleon charges and form factors using (2+1)-flavor lattice QCD. PHYSICAL REVIEW D ; 105 ; 5 ; 054505 ; MAR 10 2022 2022 10.1103/PhysRevD.105.054505
- Ge, Yunhui; Wych, David C.; Samways, Marley L.; Wall, Michael E., et al. Enhancing Sampling of Water Rehydration on Ligand Binding: A Comparison of Techniques. Journal of Chemical Theory and Computation 2022 10.1021/acs.jctc.1c00590
- Bhati, Manav; Ivanov, Sergei A.; Senftle, Thomas P.; Tretiak, Sergei, et al. Nature of electronic excitations in small non-stoichiometric quantum dots. JOURNAL OF MATERIALS CHEMISTRY A ; 10 ; 10 ; 5212-5220 ; MAR 8 2022 2022 10.1039/d1ta07983b
- Mithun, T.; Kevrekidis, P. G.; Saxena, A.; Bishop, A. R.. Measurement and memory in the periodically driven complex Ginzburg-Landau equation. Physical Review E ; 105 ; 3 ; 034210 ; March 2022 2022 10.1103/PhysRevE.105.034210
- Castro, Lauren A.; Leitner, Thomas; Romero-Severson, Ethan. Recombination smooths the time-signal disrupted by latency in within-host HIV phylogenies. 2022 https://www.biorxiv.org/content/10.1101/2022.02.22.481498v1
- Sharma, Kunal; Cerezo, M.; Holmes, Zoë; Cincio, Lukasz, et al. Reformulation of the No-Free-Lunch Theorem for Entangled Datasets. Physical Review Letters ; 128 ; 7 ; 070501 ; 18 February 2022 2022 10.1103/PhysRevLett.128.070501
- Bejagam, Karteek K.; Lalonde, Jessica; Iverson, Carl N.; Marrone, Babetta L., et al. Machine Learning for Melting Temperature Predictions and Design in Polyhydroxyalkanoate-Based Biopolymers. Journal of Physical Chemistry B ; 126 ; 4 ; 934-945 ; 3 February 2022 2022 10.1021/acs.jpcb.1c08354
- Patel, Lara A.; Waybright, Timothy J.; Stephen, Andrew G.; Neale, Chris. GAP positions catalytic h-Ras residue Q61 for GTP hydrolysis in MD simulations. Biophysical Journal 2022 10.1016/j.bpj.2021.11.1149
- Billow, Brennan Shay; Carlson, Rebecca Kathleen; Bhardwaj, Kirti; Batista, Enrique Ricardo, et al. A neutral bis(η-6 arene) diamide Pu2+ complex. Journal of the American Chemical Society 2022
- Holmes, Zoe; Sharma, Kunal; Cerezo, M.; Coles, Patrick J.. Connecting Ansatz Expressibility to Gradient Magnitudes and Barren Plateaus. PRX QUANTUM ; 3 ; 1 ; 010313 ; JAN 24 2022 2022 10.1103/PRXQuantum.3.010313
- Forde, Aaron; Ghosh, Dibyajyoti; Kilin, Dmitri; Evans, Amanda C., et al. Induced Chirality in Halide Perovskite Clusters through Surface Chemistry. JOURNAL OF PHYSICAL CHEMISTRY LETTERS ; 13 ; 2 ; 686-693 ; JAN 20 2022 2022 10.1021/acs.jpclett.1c04060
- Capodaglio, Giacomo; Petersen, Mark. Local time stepping for the shallow water equations in MPAS. Journal of Computational Physics ; 449 ; 110818 ; 15 January 2022 2022 10.1016/j.jcp.2021.110818
- Ma, Tengfei; Kim, Hyojung; Mathew, Nithin; Luscher, Darby J., et al. Dislocation transmission across Σ3{112} incoherent twin boundary: a combined atomistic and phase-field study. Acta Materialia ; 223 ; 117447 ; 15 January 2022 2022 10.1016/j.actamat.2021.117447
- Touil, Akram; Yan, Bin; Girolami, Davide; Deffner, Sebastian, et al. Eavesdropping on the Decohering Environment: Quantum Darwinism, Amplification, and the Origin of Objective Classical Reality. PHYSICAL REVIEW LETTERS ; 128 ; 1 ; 010401 ; JAN 7 2022 2022 10.1103/PhysRevLett.128.010401
- Charalampidis, Efstathios G.; Cooper, Fred; Khare, Avinash; Dawson, John F., et al. Stability of trapped solutions of a nonlinear Schrodinger equation with a nonlocal nonlinear self-interaction potential. JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL ; 55 ; 1 ; 015703 ; JAN 7 2022 2022 10.1088/1751-8121/ac265b
- Ingolfsson, Helgi I.; Neale, Chris; Carpenter, Timothy S.; Shrestha, Rebika, et al. Machine learning–driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins. Proceedings of the National Academy of Sciences of the United States of America ; 119 ; 1 ; e2113297119 ; 4 January 2022 2022 10.1073/pnas.2113297119
- McNerney, James; Savoie, Charles; Caravelli, Francesco; Carvalho, Vasco M., et al. How production networks amplify economic growth. Proceedings of the National Academy of Sciences of the United States of America ; 119 ; 1 ; e2106031118 ; 4 January 2022 2022 10.1073/pnas.2106031118
- Feng, Shihang; Zhang, Xitong; Wohlberg, Brendt; Symons, Neill P., et al. Connect the Dots: In Situ 4-D Seismic Monitoring of CO 2 Storage With Spatio-Temporal CNNs. IEEE Transactions on Geoscience and Remote Sensing 2022 10.1109/TGRS.2021.3116618
- Scott, Cory Braker. Differentiable IFS Fractals. 2022 10.48550/ARXIV.2203.01231
- Alvarez, Sebastian Naranjo; Bokil, Vrushali A.; Gyrya, Vitaliy; Manzini, Gianmarco. The Virtual Element Method for the Coupled System of Magneto-Hydrodynamics. SEMA SIMAI Springer Series ; 31 ; 499-556 ; 2022 2022 10.1007/978-3-030-95319-5_12
- Kuenneth, Christopher; Lalonde, Jessica; Marrone, Babetta L.; Iverson, Carl N., et al. Bioplastic design using multitask deep neural networks. Communications Materials ; 3 ; 1 ; 96 ; December 2022 2022 10.1038/s43246-022-00319-2
- Fedik, Nikita; Zubatyuk, Roman; Kulichenko, Maksim; Lubbers, Nicholas, et al. Extending machine learning beyond interatomic potentials for predicting molecular properties. NATURE REVIEWS CHEMISTRY ; 6 ; 9 ; 653-672 ; SEP 2022 2022 10.1038/s41570-022-00416-3
- Varga, L.; Libál, A.; Reichhardt, C.; Reichhardt, C. J. O.. Pattern formation and flocking for particles near the jamming transition on resource gradient substrates. Physical Review E ; 106 ; 6 ; 064602 ; December 2022 2022 10.1103/PhysRevE.106.064602
- Yang, Haoxiang; Nagarajan, Harsha. Optimal power flow under stochastic N-1 disruptions in electric transmission grids. Electric Power Systems Research ; 212 ; 108290 ; November 2022 2022 10.1016/j.epsr.2022.108290
- Nelson, Jon; Vuffray, Marc; Lokhov, Andrey Y.; Albash, Tameem, et al. High-Quality Thermal Gibbs Sampling with Quantum Annealing Hardware. Physical Review Applied ; 17 ; 4 ; 044046 ; April 2022 2022 10.1103/PhysRevApplied.17.044046
- Borovsky, J. E.; Yakymenko, K. N.; Delzanno, G. L.. Modification of the Loss Cone for Energetic Particles in the Earth's Inner Magnetosphere. JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS ; 127 ; 8 ; e2021JA030106 ; AUG 2022 2022 10.1029/2021JA030106
- Trejo, Imelda; Hengartner, Nicolas W.. A modified Susceptible-Infected-Recovered model for observed under-reported incidence data. PloS one ; 17 ; 2 ; e0263047 ; 2022 2022 10.1371/journal.pone.0263047
- Zheng, Yu; Han, Yulun; Weight, Braden M.; Lin, Zhiwei, et al. Photochemical spin-state control of binding configuration for tailoring organic color center emission in carbon nanotubes. Nature Communications ; 13 ; 1 ; 4439 ; December 2022 2022 10.1038/s41467-022-31921-0
- Malla, Rajesh K.. Nonadiabatic dissociation of molecular Bose-Einstein condensates: Competition between chemical reactions. Physical Review A ; 106 ; 3 ; 033318 ; September 2022 2022 10.1103/PhysRevA.106.033318
- Germann, Timothy C.; Smith, Manhong Z.; Dauelsberg, Lori R.; Fairchild, Geoffrey, et al. Assessing K-12 school reopenings under different COVID-19 Spread scenarios – United States, school year 2020/21: A retrospective modeling study. Epidemics ; 41 ; 100632 ; December 2022 2022 10.1016/j.epidem.2022.100632
- Beckey, Jacob L.; Cerezo, M.; Sone, Akira; Coles, Patrick J.. Variational quantum algorithm for estimating the quantum Fisher information. Physical Review Research ; 4 ; 1 ; 013083 ; March2022 2022 10.1103/PhysRevResearch.4.013083
- Cen, Julia; Saxena, Avadh. Anti- PT -symmetric qubit: Decoherence and entanglement entropy. Physical Review A ; 105 ; 2 ; 022404 ; February 2022 2022 10.1103/PhysRevA.105.022404
- Bhattacharyya, Arpan; Chemissany, Wissam; Haque, S. Shajidul; Yan, Bin. Towards the web of quantum chaos diagnostics. EUROPEAN PHYSICAL JOURNAL C ; 82 ; 1 ; 87 ; JAN 2022 2022 10.1140/epjc/s10052-022-10035-3
- Cerezo, M.; Verdon, Guillaume; Huang, Hsin-Yuan; Cincio, Lukasz, et al. Challenges and opportunities in quantum machine learning. Nature Computational Science ; 2 ; 9 ; 567-576 ; September 2022 2022 10.1038/s43588-022-00311-3
- Geller, Michael R.; Arrasmith, Andrew; Holmes, Zoë; Yan, Bin, et al. Quantum simulation of operator spreading in the chaotic Ising model. Physical Review E ; 105 ; 3 ; 035302 ; March 2022 2022 10.1103/PhysRevE.105.035302
- Rupe, Adam; Crutchfield, James P.. Algebraic Theory of Patterns as Generalized Symmetries. SYMMETRY-BASEL ; 14 ; 8 ; 1636 ; AUG 2022 2022 10.3390/sym14081636
- Turan, Evren Mert; Kannan, Rohit; Jäschke, Johannes. Design of PID controllers using semi-infinite programming. Computer Aided Chemical Engineering ; 49 ; 439-444 ; January 2022 2022 10.1016/B978-0-323-85159-6.50073-7
- Desantis, Derek; Skau, Erik; Truong, Duc P.; Alexandrov, Boian. Factorization of Binary Matrices: Rank Relations, Uniqueness and Model Selection of Boolean Decomposition. ACM TRANSACTIONS ON KNOWLEDGE DISCOVERY FROM DATA ; 16 ; 6 ; 112 ; DEC 2022 2022 10.1145/3522594
- Garcia, Angel E.. Atomistic Simulations of Thermal Unfolding. Methods in Molecular Biology ; 2376 ; 331-341 ; 2022 2022 10.1007/978-1-0716-1716-8_18
- Yang, Haoxiang; Nagarajan, Harsha. Optimal Power Flow in Distribution Networks Under N-1 Disruptions: A Multistage Stochastic Programming Approach. INFORMS JOURNAL ON COMPUTING ; 34 ; 2 ; 690-709 ; MAR-APR 2022 2022 10.1287/ijoc.2021.1080
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