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Vincent K. Shen

national institute of standards & technology (nist) - usa

29H-index
207Paper Count
3.1KCitation Count
Published Papers 58
Publication Date
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Development of SAFT-Based Coarse-Grained Models of Carbon Dioxide and Nitrogen
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-03-21
err0
errOAAI
errKrekelberg, William P.; Hatch, Harold W.; Siderius, Daniel W.; Mahynski, Nathan A.; Shen, Vincent K.
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Elucidating Thermodynamically Driven Structure-Property Relations for Zeolite Adsorption Using Neural Networks
errJACS AU
IF8.7
err2024-11-14
err0
errOAAI
errRzepa, Christopher; Dabagian, Devin; Siderius, Daniel W.; Hatch, Harold W.; Shen, Vincent K.; Mittal, Jeetain; Rangarajan, Srinivas
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Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-09-05
err1
errOAAI
errHatch, Harold W.; Bergonzo, Christina; Blanco, Marco A.; Yuan, Guangcui; Grudinin, Sergei; Lund, Mikael; Curtis, Joseph E.; Grishaev, Alexander V.; Liu, Yun; Shen, Vincent K.
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Monte Carlo molecular simulations with FEASST version 0.25.1
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-09-05
err2
PREAI
errHatch, Harold W.; Siderius, Daniel W.; Shen, Vincent K.
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errSave
Theory and Monte Carlo simulation of the ideal gas with shell particles in the canonical, isothermal-isobaric, grand canonical, and Gibbs ensembles
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-22
err0
PREAI
errHatch, Harold W.; Shen, Vincent K.; Corti, David S.
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errSave
Programming Interfacial Porosity and Symmetry with Escherized Colloids
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-02-22
err0
PREAI
errMahynski, Nathan A.; Shen, Vincent K.
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errSave
Leveraging uncertainty estimates and derivative information in Gaussian process regression for efficient collection and use of molecular simulation data
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-27
err2
errOAAI
errMonroe, Jacob I.; Krekelberg, William P.; McDannald, Austin; Shen, Vincent K.
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Building Interpretable Machine Learning Models to Identify Chemometric Trends in Seabirds of the North Pacific Ocean
errENVIRONMENTAL SCIENCE & TECHNOLOGY
IF11.3
err2022-10-05
err7
PREAI
errMahynski, Nathan A.; Ragland, Jared M.; Schuur, Stacy S.; Shen, Vincent K. .
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Derivable genetic programming for two-dimensional colloidal materials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-21
err1
errOAAI
errMahynski, Nathan A.; Han, Bliss; Markiewitz, Daniel; Shen, Vincent K.
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Systematic control of collective variables learned from variational autoencoders
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-07
err1
PREAI
errMonroe, Jacob I.; Shen, Vincent K.
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errSave
Learning Efficient, Collective Monte Carlo Moves with Variational Autoencoders
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-05-25
err12
PREAI
errMonroe, Jacob, I; Shen, Vincent K.
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errSave
Assessing Real-World Racial Differences Among Patients With Metastatic Triple-Negative Breast Cancer in US Community Practices
errFRONTIERS IN PUBLIC HEALTH
IF3.4
err2022-05-24
err0
errOAAI
errTan, Ruoding; Cassoli, Lourenia; Yan, Ying; Shen, Vincent; Day, Bann-mo; Mitchell, Edith P.
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Comments on Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights
errAICHE JOURNAL
IF4
err2022-03-26
err7
PREAI
errSiderius, Daniel W.; Hatch, Harold W.; Errington, Jeffrey R.; Shen, Vincent K.
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Oncogene-specific differences in tumor mutational burden, PD-L1 expression, and outcomes from immunotherapy in non-small cell lung cancer
errJOURNAL FOR IMMUNOTHERAPY OF CANCER
IF10.6
err2021-08-10
err170
errOAAI
errNegrao, Marcelo, V; Skoulidis, Ferdinandos; Montesion, Meagan; Schulze, Katja; Bara, Ilze; Shen, Vincent; Xu, Hao; Hu, Sylvia; Sui, Dawen; Elamin, Yasir Y.; Le, Xiuning; Goldberg, Michael E.; Murugesan, Karthikeyan; Wu, Chang-Jiun; Zhang, Jianhua; Barreto, David S.; Robichaux, Jacqulyne P.; Reuben, Alexandre; Cascone, Tina; Gay, Carl M.; Mitchell, Kyle G.; Hong, Lingzhi; Rinsurongkawong, Waree; Roth, Jack A.; Swisher, Stephen G.; Lee, Jack; Tsao, Anne; Papadimitrakopoulou, Vassiliki; Gibbons, Don L.; Glisson, Bonnie S.; Singal, Gaurav; Miller, Vincent A.; Alexander, Brian; Frampton, Garrett; Albacker, Lee A.; Shames, David; Zhang, Jianjun; Heymach, John, V
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Predicting the Mixing Behavior of Aqueous Solutions Using a Machine Learning Framework
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2021-03-01
err6
PREAI
errPeacock, Chris J.; Lamont, Connor; Sheen, David A.; Shen, Vincent K.; Kreplak, Laurent; Frampton, John P.
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errSave
Extrapolation and interpolation strategies for efficiently estimating structural observables as a function of temperature and density
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-10-08
err12
errOAAI
errMonroe, Jacob I.; Hatch, Harold W.; Mahynski, Nathan A.; Shell, M. Scott; Shen, Vincent K.
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errSave
Computational Investigation of Correlations in Adsorbate Entropy for Pure-Silica Zeolite Adsorbents
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-06-30
err9
errOAAI
errRzepa, Christopher; Siderius, Daniel W.; Hatch, Harold W.; Shen, Vincent K.; Rangarajan, Srinivas; Mittal, Jeetain
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errSave
Chemometric outlier classification of 2D-NMR spectra to enable higher order structure characterization of protein therapeutics
errCHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
IF3.8
err2020-04-01
err7
errOAAI
errSheen, David A.; Shen, Vincent K.; Brinson, Robert G.; Arbogast, Luke W.; Marino, John P.; Delaglio, Frank
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Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-10-09
err5
errOAAI
errHatch, Harold W.; Hall, Steven W.; Errington, Jeffrey R.; Shen, Vincent K.
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errSave
Exploratory subgroup analysis of atezolizumab (atezo) clinical characteristics in patients (pts) with low circulating tumor DNA (ctDNA) in B-F1RST-a Phase II trial evaluating blood-based tumor mutational burden (bTMB) in NSCLC
errCANCER RESEARCH
IF16.6
err2019-07-01
err5
PREAI
errSocinski, Mark A.; Paul, Sarah M.; Yun, Cindy; Hu, Sylvia; Shen, Vincent; Velcheti, Vamsidar; Mok, Tony S.; Gandara, David R.; Chae, Young Kwang; Schleifman, Erica; Fabrizio, David A.; Shames, David S.; Phan, See; Kim, Edward S.
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Research Directions

No research directions
Co-authors
Cooperation Journals
T
Tony Mok
H-index: 131 · Papers: 1.1K
D
David R. Gandara
H-index: 100 · Papers: 1.1K
张建华 cover
张建华 (Jianhua Zhang)
H-index: 92 · Papers: 1.2K
P
Pablo G. Debenedetti
H-index: 90 · Papers: 423
G
Garrett M. Frampton
H-index: 86 · Papers: 651
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