Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Bore SL"'
Autor:
de Giovanetti M; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo Oslo 0315 Norway michele.cascella@kjemi.uio.no., Hopen Eliasson SH; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo Oslo 0315 Norway michele.cascella@kjemi.uio.no., Bore SL; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo Oslo 0315 Norway michele.cascella@kjemi.uio.no., Eisenstein O; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo Oslo 0315 Norway michele.cascella@kjemi.uio.no.; ICGM, University of Montpellier, CNRS, ENSCM Montpellier 34293 France odile.eisenstein@umontpellier.fr., Cascella M; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo Oslo 0315 Norway michele.cascella@kjemi.uio.no.
Publikováno v:
Chemical science [Chem Sci] 2024 Nov 12; Vol. 15 (48), pp. 20355-20364. Date of Electronic Publication: 2024 Nov 12 (Print Publication: 2024).
Autor:
Carrer M; Hylleraas Centre for Quantum Molecular Sciences and Department of Chemistry, University of Oslo, PO Box 1033, Blindern, 0315 Oslo, Norway., Cezar HM; Hylleraas Centre for Quantum Molecular Sciences and Department of Chemistry, University of Oslo, PO Box 1033, Blindern, 0315 Oslo, Norway., Bore SL; Hylleraas Centre for Quantum Molecular Sciences and Department of Chemistry, University of Oslo, PO Box 1033, Blindern, 0315 Oslo, Norway., Ledum M; Hylleraas Centre for Quantum Molecular Sciences and Department of Chemistry, University of Oslo, PO Box 1033, Blindern, 0315 Oslo, Norway., Cascella M; Hylleraas Centre for Quantum Molecular Sciences and Department of Chemistry, University of Oslo, PO Box 1033, Blindern, 0315 Oslo, Norway.
Publikováno v:
Journal of chemical information and modeling [J Chem Inf Model] 2024 Jul 22; Vol. 64 (14), pp. 5510-5520. Date of Electronic Publication: 2024 Jul 04.
Autor:
Zeng J; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, USA., Zhang D; AI for Science Institute, Beijing 100080, People's Republic of China.; DP Technology, Beijing 100080, People's Republic of China.; Academy for Advanced Interdisciplinary Studies, Peking University, Beijing 100871, People's Republic of China., Lu D; HEDPS, CAPT, College of Engineering, Peking University, Beijing 100871, People's Republic of China., Mo P; College of Electrical and Information Engineering, Hunan University, Changsha, People's Republic of China., Li Z; Yuanpei College, Peking University, Beijing 100871, People's Republic of China., Chen Y; Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08540, USA., Rynik M; Department of Experimental Physics, Comenius University, Mlynská Dolina F2, 842 48 Bratislava, Slovakia., Huang L; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing 100084, People's Republic of China., Li Z; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, USA.; DP Technology, Beijing 100080, People's Republic of China., Shi S; ByteDance Research, Zhonghang Plaza, No. 43, North 3rd Ring West Road, Haidian District, Beijing, People's Republic of China., Wang Y; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, USA.; DP Technology, Beijing 100080, People's Republic of China., Ye H; Yuanpei College, Peking University, Beijing 100871, People's Republic of China., Tuo P; AI for Science Institute, Beijing 100080, People's Republic of China., Yang J; Baidu, Inc., Beijing, People's Republic of China., Ding Y; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, USA., Li Y; Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA., Tisi D; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, USA., Zeng Q; Department of Physics, National University of Defense Technology, Changsha, Hunan 410073, People's Republic of China., Bao H; AI for Science Institute, Beijing 100080, People's Republic of China., Xia Y; ByteDance Research, Zhonghang Plaza, No. 43, North 3rd Ring West Road, Haidian District, Beijing, People's Republic of China., Huang J; AI for Science Institute, Beijing 100080, People's Republic of China.; DP Technology, Beijing 100080, People's Republic of China., Muraoka K; Department of Chemical System Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan., Wang Y; DP Technology, Beijing 100080, People's Republic of China., Chang J; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, USA.; DP Technology, Beijing 100080, People's Republic of China., Yuan F; DP Technology, Beijing 100080, People's Republic of China., Bore SL; Hylleraas Centre for Quantum Molecular Sciences and Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo, Norway., Cai C; AI for Science Institute, Beijing 100080, People's Republic of China.; DP Technology, Beijing 100080, People's Republic of China., Lin Y; Wangxuan Institute of Computer Technology, Peking University, Beijing 100871, People's Republic of China., Wang B; Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Process, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, People's Republic of China., Xu J; School of Chemistry and Chemical Engineering, Queen's University Belfast, Belfast BT9 5AG, United Kingdom., Zhu JX; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People's Republic of China., Luo C; Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027, USA., Zhang Y; DP Technology, Beijing 100080, People's Republic of China., Goodall REA; Independent Researcher, London, United Kingdom., Liang W; DP Technology, Beijing 100080, People's Republic of China., Singh AK; Department of Data Science, Indian Institute of Technology, Palakkad, Kerala, India., Yao S; DP Technology, Beijing 100080, People's Republic of China., Zhang J; NVIDIA AI Technology Center (NVAITC), Santa Clara, California 95051, USA., Wentzcovitch R; DP Technology, Beijing 100080, People's Republic of China., Han J; Center for Computational Mathematics, Flatiron Institute, New York, New York 10010, USA., Liu J; College of Electrical and Information Engineering, Hunan University, Changsha, People's Republic of China., Jia W; AI for Science Institute, Beijing 100080, People's Republic of China., York DM; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, USA., E W; AI for Science Institute, Beijing 100080, People's Republic of China.; DP Technology, Beijing 100080, People's Republic of China., Car R; Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA., Zhang L; AI for Science Institute, Beijing 100080, People's Republic of China.; DP Technology, Beijing 100080, People's Republic of China., Wang H; DP Technology, Beijing 100080, People's Republic of China.; HEDPS, CAPT, College of Engineering, Peking University, Beijing 100871, People's Republic of China.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2023 Aug 07; Vol. 159 (5).
Autor:
Bull-Vulpe EF; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States., Riera M; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States., Bore SL; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States., Paesani F; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States.; Materials Science and Engineering, University of California San Diego, La Jolla, California 92093, United States.; San Diego Supercomputer Center, University of California San Diego, La Jolla, California 92093, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Jul 25; Vol. 19 (14), pp. 4494-4509. Date of Electronic Publication: 2022 Sep 16.
Autor:
Bore SL; Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, CA, 92093, USA., Paesani F; Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, CA, 92093, USA. fpaesani@ucsd.edu.; Materials Science and Engineering, University of California San Diego, La Jolla, CA, 92093, USA. fpaesani@ucsd.edu.; Halicioğlu Data Science Institute, University of California San Diego, La Jolla, CA, 92093, USA. fpaesani@ucsd.edu.; San Diego Supercomputer Center, University of California San Diego, La Jolla, CA, 92093, USA. fpaesani@ucsd.edu.
Publikováno v:
Nature communications [Nat Commun] 2023 Jun 08; Vol. 14 (1), pp. 3349. Date of Electronic Publication: 2023 Jun 08.
Autor:
Ledum M; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, PO Box 1033 Blindern, 0315 Oslo, Norway., Sen S; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, PO Box 1033 Blindern, 0315 Oslo, Norway., Li X; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, PO Box 1033 Blindern, 0315 Oslo, Norway., Carrer M; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, PO Box 1033 Blindern, 0315 Oslo, Norway., Feng Y; Berkeley Center for Cosmological Physics and Department of Physics, University of California, Berkeley, California 94720, United States., Cascella M; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, PO Box 1033 Blindern, 0315 Oslo, Norway., Bore SL; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 May 23; Vol. 19 (10), pp. 2939-2952. Date of Electronic Publication: 2023 May 02.
Autor:
Ledum M; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, PO Box 1033 Blindern, 0315 Oslo, Norway., Sen S; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, PO Box 1033 Blindern, 0315 Oslo, Norway., Bore SL; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, PO Box 1033 Blindern, 0315 Oslo, Norway., Cascella M; Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, PO Box 1033 Blindern, 0315 Oslo, Norway.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2023 May 21; Vol. 158 (19).
Autor:
Sen S; Hylleraas Centre for Quantum Molecular Sciences and Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo, Norway., Ledum M; Hylleraas Centre for Quantum Molecular Sciences and Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo, Norway., Bore SL; Hylleraas Centre for Quantum Molecular Sciences and Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo, Norway., Cascella M; Hylleraas Centre for Quantum Molecular Sciences and Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo, Norway.
Publikováno v:
Journal of chemical information and modeling [J Chem Inf Model] 2023 Apr 10; Vol. 63 (7), pp. 2207-2217. Date of Electronic Publication: 2023 Mar 28.
Autor:
Zhai Y; Department of Computer Science and Engineering, University of California San Diego, La Jolla, California 92093, USA., Caruso A; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA., Bore SL; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA., Luo Z; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA., Paesani F; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2023 Feb 28; Vol. 158 (8), pp. 084111.
Autor:
Bore SL; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA., Piaggi PM; Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA., Car R; Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA., Paesani F; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2022 Aug 07; Vol. 157 (5), pp. 054504.