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H

Hubertus J. J. van Dam

University College London

22H指数
93论文数
7.8K被引数
收录论文 22
发表时间
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Performance analysis and data reduction for exascale scientific workflows
errINTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
IF2.5
err2025-03-01
err0
PREAI
errKelly, Christopher; Xu, Wei; Pouchard, Line C.; Van Dam, Hubertus; Islam, Tanzima Z.; Yoo, Shinjae; Van Dam, Kerstin Kleese
err分享
err收藏
Small-Angle X-ray Scattering (SAXS) Combined with SAXS-Driven Molecular Dynamics for Structural Analysis of Multistranded RNA Assemblies
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2024-11-27
err0
PREAI
errRolband, Lewis A.; Chopra, Kriti; Danai, Leyla; Beasock, Damian; van Dam, Hubertus J. J.; Krueger, Joanna K.; Byrnes, James; Afonin, Kirill A.
err分享
err收藏
In situ Synchrotron X-ray Metrology Boosted by Automated Data Analysis for Real-time Monitoring of Cathode Calcination
errSMALL METHODS
IF9.1
err2024-09-09
err0
errOAAI
errDongol, Ruhil; Mukherjee, Arpan; Bai, Jianming; van Dam, Hubertus J. J.; Carbone, Matthew R.; Abell, E. Frits; Zhong, Hui; Tayal, Akhil; Ma, Lu; Kahvecioglu, Ozgenur; Pupek, Krzysztof Z.; Lu, Deyu; Rajan, Krishna; Wang, Feng
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A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria
errNATURE COMMUNICATIONS
IF15.7
err2024-04-12
err5
errOAAI
errGrosjean, Nicolas; Yee, Estella F.; Kumaran, Desigan; Chopra, Kriti; Abernathy, Macon; Biswas, Sandeep; Byrnes, James; Kreitler, Dale F.; Cheng, Jan-Fang; Ghosh, Agnidipta; Almo, Steven C.; Iwai, Masakazu; Niyogi, Krishna K.; Pakrasi, Himadri B.; Sarangi, Ritimukta; van Dam, Hubertus; Yang, Lin; Blaby, Ian K.; Blaby-Haas, Crysten E.
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Two related families of metal transferases, ZNG1 and ZNG2, are involved in acclimation to poor Zn nutrition in Arabidopsis
errFRONTIERS IN PLANT SCIENCE
IF4.8
err2023-10-25
err2
errOAAI
errZhang, Lifang; Braynen, Janeen; Fahey, Audrey; Chopra, Kriti; Cifani, Paolo; Tadesse, Dimiru; Regulski, Michael; Hu, Fangle; van Dam, Hubertus J. J.; Xie, Meng; Ware, Doreen; Blaby-Haas, Crysten E.
err分享
err收藏
PluginPlay: Enabling exascale scientific software one module at a time
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-12
err5
errOAAI
errRichard, Ryan M. M.; Keipert, Kristopher; Waldrop, Jonathan; Keceli, Murat; Williams-Young, David; Bair, Raymond; Boschen, Jeffery; Crandall, Zachery; Gasperich, Kevin; Mahmud, Quazi Ishtiaque; Panyala, Ajay; Valeev, Edward; van Dam, Hubertus; de Jong, Wibe A. A.; Windus, Theresa L. L.
err分享
err收藏
PolyODENet: Deriving mass-action rate equations from incomplete transient kinetics dataPolyODENet: 从不完整的瞬态动力学数据推导质量作用速率方程
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-27
err7
errOAAI
errWu, Qin; Avanesian, Talin; Qu, Xiaohui; Van Dam, Hubertus
err分享
err收藏
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor一种SARS-CoV-2主要蛋白酶非共价抑制剂的高通量虚拟筛选与验证
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-11-18
err78
errOAAI
errClyde, Austin; Galanie, Stephanie; Kneller, Daniel W.; Ma, Heng; Babuji, Yadu; Blaiszik, Ben; Brace, Alexander; Brettin, Thomas; Chard, Kyle; Chard, Ryan; Coates, Leighton; Foster, Ian; Hauner, Darin; Kertesz, Vilmos; Kumar, Neeraj; Lee, Hyungro; Li, Zhuozhao; Merzky, Andre; Schmidt, Jurgen G.; Tan, Li; Titov, Mikhail; Trifan, Anda; Turilli, Matteo; Van Dam, Hubertus; Chennubhotla, Srinivas C.; Jha, Shantenu; Kovalevsky, Andrey; Ramanathan, Arvind; Head, Martha S.; Stevens, Rick
err分享
err收藏
Online data analysis and reduction: An important Co-design motif for extreme-scale computers
errINTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
IF2.5
err2021-06-12
err10
errOAAI
errFoster, Ian; Ainsworth, Mark; Bessac, Julie; Cappello, Franck; Choi, Jong; Di, Sheng; Di, Zichao; Gok, Ali M.; Guo, Hanqi; Huck, Kevin A.; Kelly, Christopher; Klasky, Scott; van Dam, Kerstin Kleese; Liang, Xin; Mehta, Kshitij; Parashar, Manish; Peterka, Tom; Pouchard, Line; Shu, Tong; Tugluk, Ozan; van Dam, Hubertus; Wan, Lipeng; Wolf, Matthew; Wozniak, Justin M.; Xu, Wei; Yakushin, Igor; Yoo, Shinjae; Munson, Todd
err分享
err收藏
On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters
errFRONTIERS IN CHEMISTRY
IF4.2
err2020-12-10
err22
errOAAI
errWilliams-Young, David B.; de Jong, Wibe A.; van Dam, Hubertus J. J.; Yang, Chao
err分享
err收藏
Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-11-17
err41
errOAAI
errBerardo, Enrico; Hu, Han-Shi; van Dam, Hubertus J. J.; Shevlin, Stephen A.; Woodley, Scott M.; Kowalski, Karol; Zwijnenburg, Martijn A.
err分享
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Simulating One-Photon Absorption and Resonance Raman Scattering Spectra Using Analytical Excited State Energy Gradients within Time-Dependent Density Functional Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-11-23
err52
PREAI
errSilverstein, Daniel W.; Govind, Niranjan; van Dam, Hubertus J. J.; Jensen, Lasse
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A Case for Soft Error Detection and Correction in Computational Chemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-08-13
err14
PREAI
errvan Dam, Hubertus J. J.; Vishnu, Abhinav; de Jong, Wibe A.
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Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-03-19
err41
PREAI
errBhaskaran-Nair, Kiran; Ma, Wenjing; Krishnamoorthy, Sriram; Villa, Oreste; van Dam, Hubertus J. J.; Apra, Edoardo; Kowalski, Karol
err分享
err收藏
Implementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-09-07
err17
PREAI
errBhaskaran-Nair, Kiran; Brabec, Jiri; Apra, Edoardo; van Dam, Hubertus J. J.; Pittner, Jiri; Kowalski, Karol
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err收藏
Universal state-selective corrections to multi-reference coupled-cluster theories with single and double excitations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-03-22
err20
PREAI
errBrabec, Jiri; van Dam, Hubertus J. J.; Pittner, Jiri; Kowalski, Karol
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Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2012-02-01
err23
PREAI
errBrabec, Jiri; Pittner, Jiri; van Dam, Hubertus J. J.; Apra, Edoardo; Kowalski, Karol
err分享
err收藏
NWChem: scalable parallel computational chemistry
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2011-05-06
err32
PREAI
errvan Dam, H. J. J.; de Jong, W. A.; Bylaska, E.; Govind, N.; Kowalski, K.; Straatsma, T. P.; Valiev, M.
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SO2-binding properties of cationic η6,η1-NCN-pincer arene ruthenium platinum complexes: spectroscopic and theoretical studies
errDALTON TRANSACTIONS
IF3.3
err2011-01-01
err9
errOAAI
errBonnet, Sylvestre; van Lenthe, Joop H.; van Dam, Hubertus J. J.; van Koten, Gerard; Gebbink, Robertus J. M. Klein
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Designing a Scalable Fault Tolerance Model for High Performance Computational Chemistry: A Case Study with Coupled Cluster Perturbative Triples
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2010-12-08
err7
PREAI
errvan Dam, Hubertus J. J.; Vishnu, Abhinav; de Jong, Wibe A.
err分享
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研究方向

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H 指数: 88 · 论文数: 1.3K
S
Steven C. Almo
H 指数: 88 · 论文数: 624
K
Krishna Niyogi
H 指数: 85 · 论文数: 7.1K
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