Gaussian Process Regression for Materials and Molecules von Deringer, Volker L, Bartók, Albert P, Bernstein, Noam, Wilkins, David M, Ceriotti, Michele, Csányi, Gábor

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Linear Atomic Cluster Expansion Force Fields for Organic Molecules: Beyond RMSE von Kovács, Dávid Péter, Oord, Cas van der, Kucera, Jiri, Allen, Alice E. A, Cole, Daniel J, Ortner, Christoph, Csányi, Gábor

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Computational Surface Chemistry of Tetrahedral Amorphous Carbon by Combining Machine Learning and Density Functional Theory von Deringer, Volker L, Caro, Miguel A, Jana, Richard, Aarva, Anja, Elliott, Stephen R, Laurila, Tomi, Csányi, Gábor, Pastewka, Lars

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Quantifying Chemical Structure and Machine‐Learned Atomic Energies in Amorphous and Liquid Silicon von Bernstein, Noam, Bhattarai, Bishal, Csányi, Gábor, Drabold, David A., Elliott, Stephen R., Deringer, Volker L.

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Roadmap on multiscale materials modeling von van der Giessen, Erik, Schultz, Peter A, Bertin, Nicolas, Bulatov, Vasily V, Cai, Wei, Csányi, Gábor, Foiles, Stephen M, Geers, M G D, González, Carlos, Hütter, Markus, Kim, Woo Kyun, Kochmann, Dennis M, LLorca, Javier, Mattsson, Ann E, Rottler, Jörg, Shluger, Alexander, Sills, Ryan B, Steinbach, Ingo, Strachan, Alejandro, Tadmor, Ellad B

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Accurate Crystal Structure Prediction of New 2D Hybrid Organic–Inorganic Perovskites von Karimitari, Nima, Baldwin, William J., Muller, Evan W., Bare, Zachary J. L., Kennedy, W. Joshua, Csányi, Gábor, Sutton, Christopher

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MEK inhibition exerts temporal and myeloid cell-specific effects in the pathogenesis of neurofibromatosis type 1 arteriopathy von Tritz, Rebekah, Hudson, Farlyn Z., Harris, Valerie, Ghoshal, Pushpankur, Singla, Bhupesh, Lin, Huiping, Csanyi, Gabor, Stansfield, Brian K.

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Loss of myeloid cell-specific SIRPα, but not CD47, attenuates inflammation and suppresses atherosclerosis von Singla, Bhupesh, Lin, Hui-Ping, Ahn, WonMo, Xu, Jiean, Ma, Qian, Sghayyer, Moses, Dong, Kunzhe, Cherian-Shaw, Mary, Zhou, Jiliang, Huo, Yuqing, White, Joseph, Csányi, Gábor

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The adaptive buffered force QM/MM method in the CP2K and AMBER software packages von Mones, Letif, Jones, Andrew, Götz, Andreas W., Laino, Teodoro, Walker, Ross C., Leimkuhler, Ben, Csányi, Gábor, Bernstein, Noam

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Learn on the fly: A hybrid classical and quantum-mechanical molecular dynamics simulation von CSANYI, Gabor, ALBARET, T, PAYNE, M. C, DE VITA, A

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A Combined Machine Learning and High-Energy X-ray Diffraction Approach to Understanding Liquid and Amorphous Metal Oxides von Sivaraman, Ganesh, Csanyi, Gabor, Vazquez-Mayagoitia, Alvaro, Foster, Ian T., Wilke, Stephen K., Weber, Richard, Benmore, Chris J.

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Thrombospondin-1 Activation of Signal-Regulatory Protein-α Stimulates Reactive Oxygen Species Production and Promotes Renal Ischemia Reperfusion Injury von MINGYI YAO, ROGERS, Natasha M, ISENBERG, Jeffrey S, CSANYI, Gábor, RODRIGUEZ, Andres I, ROSS, Mark A, CROIX, Claudette St, KNUPP, Heather, NOVELLI, Enrico M, THOMSON, Angus W, PAGANO, Patrick J

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Discovering the building blocks of atomic systems using machine learning: application to grain boundaries von Rosenbrock, Conrad W., Homer, Eric R., Csányi, Gábor, Hart, Gus L. W.

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Editorial: Oxidants and Redox Signaling in Inflammation von Singla, Bhupesh, Holmdahl, Rikard, Csanyi, Gabor

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Deletion of myeloid HDAC3 promotes efferocytosis to ameliorate retinal ischemic injury von Shahror, Rami A, Shosha, Esraa, Morris, Carol, Wild, Melissa, Mu, Shengyu, Csanyi, Gabor, Boerma, Marjan, Rusch, Nancy J, Fouda, Abdelrahman Y

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Dynamic Local Structure in Caesium Lead Iodide: Spatial Correlation and Transient Domains von Baldwin, William J., Liang, Xia, Klarbring, Johan, Dubajic, Milos, Dell'Angelo, David, Sutton, Christopher, Caddeo, Claudia, Stranks, Samuel D., Mattoni, Alessandro, Walsh, Aron, Csányi, Gábor

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Tensor-Reduced Atomic Density Representations von Darby, James P, Kovács, Dávid P, Batatia, Ilyes, Caro, Miguel A, Hart, Gus L W, Ortner, Christoph, Csányi, Gábor

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Accurate energy barriers for catalytic reaction pathways: an automatic training protocol for machine learning force fields von Schaaf, Lars L., Fako, Edvin, De, Sandip, Schäfer, Ansgar, Csányi, Gábor

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PKCδ-Mediated Nox2 Activation Promotes Fluid-Phase Pinocytosis of Antigens by Immature Dendritic Cells von Singla, Bhupesh, Ghoshal, Pushpankur, Lin, Huiping, Wei, Qingqing, Dong, Zheng, Csányi, Gábor

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Dichotomous Role of Tumor Necrosis Factor in Pulmonary Barrier Function and Alveolar Fluid Clearance von Lucas, Rudolf, Hadizamani, Yalda, Enkhbaatar, Perenlei, Csanyi, Gabor, Caldwell, Robert W, Hundsberger, Harald, Sridhar, Supriya, Lever, Alice Ann, Hudel, Martina, Ash, Dipankar, Ushio-Fukai, Masuko, Fukai, Tohru, Chakraborty, Trinad, Verin, Alexander, Eaton, Douglas C, Romero, Maritza, Hamacher, Jürg

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