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Troy D. Loeffler
Troy D. Loeffler
University of Illinois at Chicago
Verified email at anl.gov
Title
Cited by
Cited by
Year
Machine learning coarse grained models for water
H Chan, MJ Cherukara, B Narayanan, TD Loeffler, C Benmore, SK Gray, ...
Nature communications 10 (1), 379, 2019
1422019
Machine learning enabled autonomous microstructural characterization in 3D samples
H Chan, M Cherukara, TD Loeffler, B Narayanan, ...
npj Computational Materials 6 (1), 1, 2020
612020
Machine learning overcomes human bias in the discovery of self-assembling peptides
R Batra, TD Loeffler, H Chan, S Srinivasan, H Cui, IV Korendovych, ...
Nature chemistry 14 (12), 1427-1435, 2022
442022
Inverse design of metasurfaces with non-local interactions
H Cai, S Srinivasan, DA Czaplewski, ABF Martinson, DJ Gosztola, L Stan, ...
npj Computational Materials 6 (1), 116, 2020
392020
Learning in continuous action space for developing high dimensional potential energy models
S Manna, TD Loeffler, R Batra, S Banik, H Chan, B Varughese, ...
Nature communications 13 (1), 368, 2022
312022
Active learning the potential energy landscape for water clusters from sparse training data
TD Loeffler, TK Patra, H Chan, M Cherukara, SKRS Sankaranarayanan
The Journal of Physical Chemistry C 124 (8), 4907-4916, 2020
312020
Accelerating copolymer inverse design using monte carlo tree search
TK Patra, TD Loeffler, SKRS Sankaranarayanan
Nanoscale 12 (46), 23653-23662, 2020
302020
Active Learning A Neural Network Model For Gold Clusters & Bulk From Sparse First Principles Training Data
SS Troy D. Loeffler, Sukriti Manna, Tarak K. Patra, Henry Chan, Badri Narayanan
ChemCatChem 12, 4796, 2020
242020
Implicit glass model for simulation of crystal nucleation for glass-ceramics
DEBJCM Matthew E. McKenzie, Sushmit Goyal, Troy Loeffler, Ling Cai, Indrajit ...
npj Computational Materials 4, 59, 2018
232018
Improved monte carlo scheme for efficient particle transfer in heterogeneous systems in the grand canonical ensemble: Application to vapor–liquid nucleation
TD Loeffler, A Sepehri, B Chen
Journal of chemical theory and computation 11 (9), 4023-4032, 2015
212015
Nanoscale critical phenomena in a complex fluid studied by x-ray photon correlation spectroscopy
D Sheyfer, Q Zhang, J Lal, T Loeffler, EM Dufresne, AR Sandy, ...
Physical Review Letters 125 (12), 125504, 2020
202020
Phase segmentation in atom-probe tomography using deep learning-based edge detection
S Madireddy, DW Chung, T Loeffler, SKRS Sankaranarayanan, ...
Scientific reports 9 (1), 20140, 2019
192019
Learning with delayed rewards—a case study on inverse defect design in 2D materials
S Banik, TD Loeffler, R Batra, H Singh, MJ Cherukara, ...
ACS Applied Materials & Interfaces 13 (30), 36455-36464, 2021
182021
Improving the efficiency of configurational-bias Monte Carlo: A density-guided method for generating bending angle trials for linear and branched molecules
A Sepehri, TD Loeffler, B Chen
The Journal of chemical physics 141 (7), 2014
182014
A coarse-grained deep neural network model for liquid water
TK Patra, TD Loeffler, H Chan, MJ Cherukara, B Narayanan, ...
Applied Physics Letters 115 (19), 2019
162019
Improving the efficiency of configurational-bias monte carlo: Extension of the jacobian–gaussian scheme to interior sections of cyclic and polymeric molecules
A Sepehri, TD Loeffler, B Chen
Journal of chemical theory and computation 13 (9), 4043-4053, 2017
152017
Surface induced nucleation of a Lennard-Jones system on an implicit surface at sub-freezing temperatures: A comparison with the classical nucleation theory
TD Loeffler, B Chen
The Journal of chemical physics 139 (23), 2013
142013
Reinforcement learning in discrete action space applied to inverse defect design
TD Loeffler, S Banik, TK Patra, M Sternberg, SKRS Sankaranarayanan
Journal of Physics Communications 5 (3), 031001, 2021
132021
Improving the efficiency of configurational-bias monte carlo: A jacobian–gaussian scheme for generating bending angle trials for linear and branched molecules
A Sepehri, TD Loeffler, B Chen
Journal of chemical theory and computation 13 (4), 1577-1583, 2017
132017
Machine learning the metastable phase diagram of covalently bonded carbon
S Srinivasan, R Batra, D Luo, T Loeffler, S Manna, H Chan, L Yang, ...
Nature communications 13 (1), 3251, 2022
122022
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