Andreas Frank Tillack
Andreas Frank Tillack
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Cited by
AutoDock Vina 1.2. 0: New docking methods, expanded force field, and python bindings
J Eberhardt, D Santos-Martins, AF Tillack, S Forli
Journal of chemical information and modeling 61 (8), 3891-3898, 2021
Spectral control of plasmonic emission enhancement from quantum dots near single silver nanoprisms
K Munechika, Y Chen, AF Tillack, AP Kulkarni, IJL Plante, AM Munro, ...
Nano letters 10 (7), 2598-2603, 2010
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids
J Kim, AD Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ...
Journal of Physics: Condensed Matter 30 (19), 195901, 2018
Accelerating AutoDock4 with GPUs and Gradient-Based Local Search
D Santos-Martins, L Solis-Vasquez, AF Tillack, MF Sanner, A Koch, S Forli
Journal of chemical theory and computation 17 (2), 1060-1073, 2021
Silicon–organic and plasmonic–organic hybrid photonics
W Heni, Y Kutuvantavida, C Haffner, H Zwickel, C Kieninger, S Wolf, ...
ACS photonics 4 (7), 1576-1590, 2017
Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19
A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ...
Journal of chemical information and modeling 60 (12), 5832-5852, 2020
Nonlinearities of organic electro-optic materials in nanoscale slots and implications for the optimum modulator design
W Heni, C Haffner, DL Elder, AF Tillack, Y Fedoryshyn, R Cottier, ...
Optics Express 25 (3), 2627-2653, 2017
Submicrosecond time resolution atomic force microscopy for probing nanoscale dynamics
R Giridharagopal, GE Rayermann, G Shao, DT Moore, OG Reid, ...
Nano letters 12 (2), 893-898, 2012
Benzocyclobutene barrier layer for suppressing conductance in nonlinear optical devices during electric field poling
W Jin, PV Johnston, DL Elder, AF Tillack, BC Olbricht, J Song, PJ Reid, ...
Applied Physics Letters 104 (24), 2014
GPU-accelerated drug discovery with docking on the summit supercomputer: Porting, optimization, and application to COVID-19 research
S LeGrand, A Scheinberg, AF Tillack, M Thavappiragasam, JV Vermaas, ...
Proceedings of the 11th ACM international conference on bioinformatics …, 2020
Quantum dot/plasmonic nanoparticle metachromophores with quantum yields that vary with excitation wavelength
K Munechika, Y Chen, AF Tillack, AP Kulkarni, I Jen-La Plante, AM Munro, ...
Nano letters 11 (7), 2725-2730, 2011
Surface characterization of polythiophene: fullerene blends on different electrodes using near edge x-ray absorption fine structure
AF Tillack, KM Noone, BA MacLeod, D Nordlund, KP Nagle, JA Bradley, ...
ACS Applied Materials & Interfaces 3 (3), 726-732, 2011
High-throughput virtual laboratory for drug discovery using massive datasets
J Glaser, JV Vermaas, DM Rogers, J Larkin, S LeGrand, S Boehm, ...
The International Journal of High Performance Computing Applications 35 (5 …, 2021
1.2. 0: New docking methods, expanded force field, and python bindings., 2021, 61
J Eberhardt, D Santos-Martins, AF Tillack, SFAD Vina
DOI: https://doi. org/10.1021/acs. jcim. 1c00203, 3891-3898, 0
Systematic generation of anisotropic coarse-grained Lennard-Jones potentials and their application to ordered soft matter
AF Tillack, LE Johnson, BE Eichinger, BH Robinson
Journal of chemical theory and computation 12 (9), 4362-4374, 2016
Toward optimal EO response from ONLO chromophores: a statistical mechanics study of optimizing shape
AF Tillack, BH Robinson
JOSA B 33 (12), E121-E129, 2016
Pre-exascale accelerated application development: The ORNL Summit experience
L Luo, TP Straatsma, LEA Suarez, R Broer, D Bykov, EF D'Azevedo, ...
IBM Journal of Research and Development 64 (3/4), 11: 1-11: 21, 2020
Benchmarking the performance of irregular computations in AutoDock-GPU molecular docking
L Solis-Vasquez, AF Tillack, D Santos-Martins, A Koch, S LeGrand, S Forli
Parallel computing 109, 102861, 2022
Modeling chromophore order: a guide for improving EO performance
AF Tillack, LE Johnson, M Rawal, LR Dalton, BH Robinson
MRS Online Proceedings Library (OPL) 1698, mrss14-1698-jj08-05, 2014
Electro-optic material design criteria derived from condensed matter simulations using the level-of-detail coarse-graining approach
AF Tillack
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