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Secure Research Infrastructure Using tiCrypt., , , , , , , и . PEARC, стр. 10:1-10:8. ACM, (2021)A versatile AMBER-Gaussian QM/MM interface through PUPIL., , , , и . J. Comput. Chem., 29 (10): 1564-1573 (2008)Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems., , , , и . J. Comput. Chem., 23 (15): 1430-1444 (2002)Comment on ä minimal implementation of the AMBER-GAUSSIAN interface for Ab Initio QM/MM-MD simulation"., , , , , , и . J. Comput. Chem., 33 (19): 1643-1644 (2012)SIPMaP: A Tool for Modeling Irregular Parallel Computations in the Super Instruction Architecture., , , и . IPDPS, стр. 874-884. IEEE Computer Society, (2013)PUPIL: A systematic approach to software integration in multi-scale simulations., , , , , , и . Comput. Phys. Commun., 177 (3): 265-279 (2007)Exploiting GPUs with the Super Instruction Architecture., , , и . Int. J. Parallel Program., 44 (2): 309-324 (2016)Building an AI-ready RSE Workforce., , , , , , , , и . CoRR, (2021)Refactoring a language for parallel computational chemistry., , , и . WRT@OOPSLA, стр. 11. ACM, (2008)An infrastructure for scalable and portable parallel programs for computational chemistry., , , , , , и . ICS, стр. 523-524. ACM, (2009)