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D

Danny Pérez

Los Alamos National Laboratory

32H指数
298论文数
3.6K被引数
收录论文 43
发表时间
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Data-Driven Characterization and Acceleration of Metastable Dynamics Using Koopman Operators基于Koopman算子的数据驱动方法对亚稳态动力学的表征与加速
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-15
err0
PREAI
errJulien Luzzatto; Feliks Nüske; Nicolas G. Hadjiconstantinou; Danny Perez
err分享
err收藏
Active learning of a crystal plasticity flow rule from discrete dislocation dynamics simulations从离散位错动力学模拟中主动学习晶体塑性流动法则
errModelling and Simulation in Materials Science and Engineering
IF2.4
err2026-01-30
err0
PREAI
errJulian, Nicholas; Po, Giacomo; Martinez, Enrique; Mathew, Nithin; Perez, Danny
err分享
err收藏
Hierarchical Attention Graph Learning with LLMs Enhancement for Molecular Solubility Prediction基于LLMs增强的层次化注意力图学习用于分子溶解度预测
errDigital Discovery
IF5.6
err2025-12-16
err0
errOAAI
errYangxin Fan; Yinghui Wu; Roger French; Danny Perez; Michael Taylor; Ping Yang
err分享
err收藏
Application-specific machine-learned interatomic potentials: exploring the trade-off between DFT convergence; MLIP expressivity; and computational cost应用特定机器学习原子间势函数：探索DFT收敛性、MLIP表达能力与计算成本之间的权衡
errDigital Discovery
IF5.6
err2025-12-10
err0
errOAAI
errIlgar Baghishov; Jan Janssen; Graeme Henkelman; Danny Perez
err分享
err收藏
Accurate and uncertainty-aware multi-task prediction of HEA properties using prior-guided deep Gaussian processes基于先验引导的深度高斯过程对高熵合金（HEA）性能的精确且具备不确定性感知的多任务预测
errnpj Computational Materials
IF11.9
err2025-10-16
err0
errOAAI
errSk Md Ahnaf Akif Alvi; Mrinalini Mulukutla; Nicolás Flores; Danial Khatamsaz; Jan Janssen; Danny Perez; Douglas Allaire; Vahid Attari; Raymundo Arróyave
err分享
err收藏
Creation of the Separation Archive for Elements (SAFE) Database创建元素分离档案（SAFE）数据库
errSOLVENT EXTRACTION AND ION EXCHANGE
IF2.1
err2025-09-01
err0
PREAI
errLeite, Leonardo da Silva Garcia; Zhang, Baosen; Acar, Zafer; Elowitt, Jackson; Augustine, Logan J.; Clark, Aurora E.; Karamalis, Victor; Perez, Danny; Schrier, Joshua; Taylor, Michael; Yang, Ping
err分享
err收藏
Best of Both Worlds: Enforcing Detailed Balance in Machine Learning Models of Transition Rates两全其美：在机器学习模型的转移率中强制实施细致平衡
errComputer Physics Communications
IF3.4
err2025-07-15
err0
PREAI
errAnjana Anu Talapatra; Anup Pandey; Matthew S. Wilson; Ying Wai Li; Ghanshyam Pilania; Blas Pedro Uberuaga; Danny Perez
err分享
err收藏
Information-entropy-driven generation of material-agnostic datasets for machine-learning interatomic potentials信息熵驱动的用于机器学习原子间势的材料不可知数据集的生成
errnpj Computational Materials
IF11.9
err2025-07-07
err0
errOAAI
errAparna P. A. Subramanyam; Danny Perez
err分享
err收藏
Data-Driven Kinetic Reaction Networks for Separation Chemistry数据驱动的分离化学动力学反应网络
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-05-13
err0
PREAI
errLee, Jiyoung; Augustine, Logan J.; Henkelman, Graeme; Yang, Ping; Perez, Danny
err分享
err收藏
Large radiation back-flux from Monte Carlo simulations of fusion neutron-material interactions
errNUCLEAR FUSION
IF4
err2025-05-01
err0
errOAAI
errLively, M. A.; Perez, Danny; Uberuaga, Blas P.; Zhang, Yanzeng; Tang, Xian-Zhu
err分享
err收藏
Hierarchical Gaussian process-based Bayesian optimization for materials discovery in high entropy alloy spaces
errACTA MATERIALIA
IF9.3
err2025-03-01
err0
PREAI
errAlvi, S. k Md Ahnaf Akif; Janssen, Jan; Khatamsaz, Danial; Perez, Danny; Allaire, Douglas; Arroyave, Raymundo
err分享
err收藏
Breaking the mold: Overcoming the time constraints of molecular dynamics on general-purpose hardware
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-02-19
err0
errOAAI
errPerez, Danny; Thompson, Aidan; Moore, Stan; Oppelstrup, Tomas; Sharapov, Ilya; Santos, Kylee; Sharifian, Amirali; Kalchev, Delyan Z.; Schreiber, Robert; Pakin, Scott; Leon, Edgar A.; Laros III, James H.; James, Michael; Rajamanickam, Sivasankaran
err分享
err收藏
MLTB: Enhancing Transferability and Extensibility of Density Functional Tight-Binding Theory with Many-body Interaction Corrections
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-29
err0
errOAAI
errBurrill, Daniel J.; Liu, Chang; Taylor, Michael G.; Cawkwell, Marc J.; Perez, Danny; Batista, Enrique R.; Lubbers, Nicholas; Yang, Ping
err分享
err收藏
Anomalous entropy-driven kinetics of dislocation nucleation位错形核的反常熵驱动动力学
errNATURE COMMUNICATIONS
IF15.7
err2025-01-21
err0
errOAAI
errPerez, Danny
err分享
err收藏
Parameter uncertainties for imperfect surrogate models in the low-noise regime
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2025-01-13
err1
errOAAI
errSwinburne, Thomas D.; Perez, Danny
err分享
err收藏
On the Importance of Configuration Search to the Predictivity of Lanthanide Selectivity关于构型搜索对镧系元素选择性预测的重要性
errJACS AU
IF8.7
err2024-11-18
err1
errOAAI
errSummers, Thomas J.; Taylor, Michael G.; Augustine, Logan J.; Janssen, Jan; Perez, Danny; Batista, Enrique R.; Yang, Ping
err分享
err收藏
Advancing Rare-Earth (4f) and Actinide (5f) Separation through Machine Learning and Automated High-Throughput Experiments
errACS SUSTAINABLE CHEMISTRY & ENGINEERING
IF7.3
err2024-10-29
err0
errOAAI
errAugustine, Logan J.; Wang, Yufei; Adelman, Sara L.; Batista, Enrique R.; Kozimor, Stosh A.; Perez, Danny; Schrier, Joshua; Yang, Ping
err分享
err收藏
Simulations of stand-off runaway electron beam termination by tungsten particulates for tokamak disruption mitigation (vol 64 , 056019 , 2024)
errNUCLEAR FUSION
IF4
err2024-06-18
err0
errOAAI
errLively, Michael A.; Perez, Danny; Uberuaga, Blas P.; Zhang, Yanzeng; Tang, Xian-Zhu
err分享
err收藏
He bubble-induced phase transformation of W grain boundaries revealed by accelerated molecular dynamics通过加速分子动力学揭示了气泡诱导的W晶界相变
errACTA MATERIALIA
IF9.3
err2024-05-01
err3
PREAI
errHatton, Peter; Perez, Danny; Frolov, Timofey; Uberuaga, Blas Pedro
err分享
err收藏
From anti-Arrhenius to Arrhenius behavior in a dislocation-obstacle bypass: Atomistic simulations and theoretical investigation
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2024-04-01
err2
errOAAI
errNahavandian, Mohammadhossein; Sarkar, Soumit; Bagchi, Soumendu; Perez, Danny; Martinez, Enrique
err分享
err收藏

研究方向

暂无研究方向
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B
Brian D. Wirth
H 指数: 64 · 论文数: 561
B
Blas P. Uberuaga
H 指数: 60 · 论文数: 481
R
Raymundo Arróyave
H 指数: 57 · 论文数: 466
A
Arthur F. Voter
H 指数: 56 · 论文数: 256
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