Research output per year
Research output per year
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Dive into the research topics where Jorge Galvez Vallejo is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
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Automatic molecular fragmentation by evolutionary optimisation
Yu, F. C. Y., Vallejo, J. L. G. & Barca, G. M. J., Dec 2024, In: Journal of Cheminformatics. 16, 1, 102.Research output: Contribution to journal › Article › peer-review
Open Access -
Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale Ab Initio Molecular Dynamics Using MP2 Potentials
Stocks, R., Vallejo, J. L. G., Yu, F. C. Y., Snowdon, C., Palethorpe, E., Kurzak, J., Bykov, D. & Barca, G. M. J., 2024, Proceedings of SC 2024: International Conference for High Performance Computing, Networking, Storage and Analysis. IEEE Computer Society, (International Conference for High Performance Computing, Networking, Storage and Analysis, SC).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
Open Access2 Citations (Scopus) -
High-Performance, Accurate Large-Scale Quantum Chemistry Calculations on GPU Supercomputers using Coulomb-Perturbed Fragmentation
Kazemian, F. S., Galvez Vallejo, J. L. & Barca, G. M. J., 12 Aug 2024, 53rd International Conference on Parallel Processing, ICPP 2024 - Main Conference Proceedings. Association for Computing Machinery (ACM), p. 1092-1102 11 p. (ACM International Conference Proceeding Series).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
Open Access1 Citation (Scopus) -
Enabling Large-Scale Correlated Electronic Structure Calculations: Scaling the RI-MP2 Method on Summit
Barca, G. M. J., Galvez Vallejo, J. L., Poole, D. L., Alkan, M., Stocks, R., Rendell, A. P. & Gordon, M. S., 14 Nov 2021, Proceedings of SC 2021: The International Conference for High Performance Computing, Networking, Storage and Analysis: Science and Beyond. IEEE Computer Society, (International Conference for High Performance Computing, Networking, Storage and Analysis, SC).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
17 Citations (Scopus) -
High-Performance, Graphics Processing Unit-Accelerated Fock Build Algorithm
Barca, G. M. J., Galvez-Vallejo, J. L., Poole, D. L., Rendell, A. P. & Gordon, M. S., 8 Dec 2020, In: Journal of Chemical Theory and Computation. 16, 12, p. 7232-7238 7 p.Research output: Contribution to journal › Article › peer-review
39 Citations (Scopus)
Projects
- 1 Finished
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Develop Energy Optimal Algorithms and FPGA Implementations for GAMESS Project
Barca, G. M. J. (PI), Galvez Vallejo, J. (CoI), Palethorpe, E. (CoI), Rendell, A. (CoI), Rendell, A. P. (CoI) & Yu, F. (CoI)
1/10/17 → 30/09/24
Project: Research