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Daniel W. Siderius
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Year
NIST standard reference simulation website
VK Shen, DW Siderius, WP Krekelberg, HW Hatch
NIST standard reference database 173, 2017
2222017
Albright's chemical engineering handbook
L Albright
CRC Press, 2008
2052008
Best practices for quantification of uncertainty and sampling quality in molecular simulations [Article v1. 0]
A Grossfield, PN Patrone, DR Roe, AJ Schultz, DW Siderius, ...
Living journal of computational molecular science 1 (1), 2018
1572018
How reproducible are surface areas calculated from the BET equation?
JWM Osterrieth, J Rampersad, D Madden, N Rampal, L Skoric, ...
Advanced materials 34 (27), 2201502, 2022
1232022
The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation
A Sturluson, MT Huynh, AR Kaija, C Laird, S Yoon, F Hou, Z Feng, ...
Molecular simulation 45 (14-15), 1082-1121, 2019
932019
Bicomponent strengthening system for paper
G Garnier, J Lindsay, T Shannon, M Lostocco, L Hansen, K Branham, ...
US Patent App. 10/325,473, 2002
882002
Extension of the Steele 10-4-3 potential for adsorption calculations in cylindrical, spherical, and other pore geometries
DW Siderius, LD Gelb
The Journal of chemical physics 135 (8), 2011
872011
Time-Dependent CO2 Sorption Hysteresis in a One-Dimensional Microporous Octahedral Molecular Sieve
L Espinal, W Wong-Ng, JA Kaduk, AJ Allen, CR Snyder, C Chiu, ...
Journal of the American Chemical Society 134 (18), 7944-7951, 2012
742012
NIST/ARPA-E database of novel and emerging adsorbent materials
DW Siderius, VK Shen, RD Johnson III, RD van Zee
National Institute of Standards and Technology: Gaithersburg, MD 10, T43882, 2014
54*2014
Predicting gas adsorption in complex microporous and mesoporous materials using a new density functional theory of finely discretized lattice fluids
DW Siderius, LD Gelb
Langmuir 25 (3), 1296-1299, 2009
542009
Relation between pore size and the compressibility of a confined fluid
GY Gor, DW Siderius, CJ Rasmussen, WP Krekelberg, VK Shen, ...
The Journal of chemical physics 143 (19), 2015
512015
Structure, thermodynamics, and solubility in tetromino fluids
BC Barnes, DW Siderius, LD Gelb
Langmuir 25 (12), 6702-6716, 2009
482009
Use of the grand canonical transition-matrix Monte Carlo method to model gas adsorption in porous materials
DW Siderius, VK Shen
The Journal of Physical Chemistry C 117 (11), 5861-5872, 2013
462013
On the generalized equipartition theorem in molecular dynamics ensembles and the microcanonical thermodynamics of small systems
MJ Uline, DW Siderius, DS Corti
The Journal of chemical physics 128 (12), 2008
422008
Understanding material characteristics through signature traits from helium pycnometry
HGT Nguyen, JC Horn, M Bleakney, DW Siderius, L Espinal
Langmuir 35 (6), 2115-2122, 2019
402019
Modulus–pressure equation for confined fluids
GY Gor, DW Siderius, VK Shen, N Bernstein
The Journal of chemical physics 145 (16), 2016
372016
Elucidating the effects of adsorbent flexibility on fluid adsorption using simple models and flat-histogram sampling methods
VK Shen, DW Siderius
The Journal of chemical physics 140 (24), 2014
322014
Reference diffraction patterns, microstructure, and pore-size distribution for the copper (II) benzene-1, 3, 5-tricarboxylate metal organic framework (Cu-BTC) compounds
W Wong-Ng, JA Kaduk, DL Siderius, AL Allen, L Espinal, BM Boyerinas, ...
Powder Diffraction 30 (1), 2-13, 2015
302015
Graph neural network predictions of metal organic framework CO2 adsorption properties
K Choudhary, T Yildirim, DW Siderius, AG Kusne, A McDannald, ...
Computational Materials Science 210, 111388, 2022
242022
Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni (1, 2-bis (4-pyridyl) ethylene)[Ni (CN) 4]
W Wong-Ng, JT Culp, YS Chen, P Zavalij, L Espinal, DW Siderius, ...
CrystEngComm 15 (23), 4684-4693, 2013
242013
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