Samuel T Chill
Samuel T Chill
VP of Software & Systems Integration at Lantha Inc.
Verifierad e-postadress på lanthasensors.com
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Assessment of the performance of the M05− 2X and M06− 2X exchange-correlation functionals for noncovalent interactions in biomolecules
EG Hohenstein, ST Chill, CD Sherrill
Journal of Chemical Theory and Computation 4 (12), 1996-2000, 2008
5922008
QuantumATK: an integrated platform of electronic and atomic-scale modelling tools
S Smidstrup, T Markussen, P Vancraeyveld, J Wellendorff, J Schneider, ...
Journal of Physics: Condensed Matter 32 (1), 015901, 2019
2072019
A Theoretical and Experimental Approach for Correlating Nanoparticle Structure and Electrocatalytic Activity
RM Anderson, DF Yancey, L Zhang, ST Chill, G Henkelman, RM Crooks
Accounts of Chemical Research 48, 1351-1357, 2015
762015
A theoretical and experimental examination of systematic ligand-induced disorder in Au dendrimer-encapsulated nanoparticles
DF Yancey, ST Chill, L Zhang, AI Frenkel, G Henkelman, RM Crooks
Chemical Science 4 (7), 2912-2921, 2013
712013
EON: software for long time simulations of atomic scale systems
ST Chill, M Welborn, R Terrell, L Zhang, JC Berthet, A Pedersen, ...
Modelling and Simulation in Materials Science and Engineering 22 (5), 055002, 2014
562014
Benchmarks for characterization of minima, transition states, and pathways in atomic, molecular, and condensed matter systems
ST Chill, J Stevenson, V Ruehle, C Shang, P Xiao, JD Farrell, DJ Wales, ...
Journal of chemical theory and computation 10 (12), 5476-5482, 2014
452014
ATK-ForceField: a new generation molecular dynamics software package
J Schneider, J Hamaekers, ST Chill, S Smidstrup, J Bulin, R Thesen, ...
Modelling and Simulation in Materials Science and Engineering 25 (8), 085007, 2017
402017
Probing the limits of conventional extended X-ray absorption fine structure analysis using thiolated gold nanoparticles
ST Chill, RM Anderson, DF Yancey, AI Frenkel, RM Crooks, G Henkelman
ACS nano 9 (4), 4036-4042, 2015
362015
Molecular dynamics saddle search adaptive kinetic Monte Carlo
ST Chill, G Henkelman
The Journal of chemical physics 140 (21), 214110, 2014
352014
A facile one-pot conversion of aldehydes into nitriles
ST Chill, RC Mebane
Synthetic Communications® 39 (20), 3601-3606, 2009
322009
A combined theoretical and experimental EXAFS study of the structure and dynamics of Au 147 nanoparticles
Z Duan, Y Li, J Timoshenko, ST Chill, RM Anderson, DF Yancey, ...
Catalysis Science & Technology 6 (18), 6879-6885, 2016
192016
Database of atomistic reaction mechanisms with application to kinetic Monte Carlo
R Terrell, M Welborn, ST Chill, G Henkelman
The Journal of chemical physics 137 (1), 014105, 2012
162012
Facile one-pot conversion of aldehydes into amides
ST Chill, RC Mebane
Synthetic Communications® 40 (13), 2014-2017, 2010
142010
Analysis of estimators for adaptive kinetic Monte Carlo
D Aristoff, S Chill, G Simpson
Communications in Applied Mathematics and Computational Science 11 (2), 171-186, 2016
92016
Novel Method of Reducing Ketones Using Sodium Hydroxide in Isopropanol
DR Zuidema, KJ Wert, SL Williams, ST Chill, KL Holte, NK Kokes, ...
Synthetic Communications® 40 (8), 1187-1191, 2010
62010
Distributed replica dynamics
L Zhang, ST Chill, G Henkelman
The Journal of chemical physics 143 (17), 174112, 2015
42015
Tandem one-pot conversion of aldehydes into ethyl esters
PJ Siler, ST Chill, RC Mebane
Synthetic Communications 41 (8), 1247-1250, 2011
42011
Thermal properties of size-selective nanoparticles: Effect of the particle size on Einstein temperature
Y Li, RM Anderson, Z Duan, S Chill, RM Crooks, G Henkelman, AI Frenkel
Journal of Physics: Conference Series 712 (1), 012063, 2016
2016
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Artiklar 1–18