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Troy D. Loeffler
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Machine learning coarse grained models for water
H Chan, MJ Cherukara, B Narayanan, TD Loeffler, C Benmore, SK Gray, ...
Nature communications 10 (1), 1-14, 2019
852019
Machine learning enabled autonomous microstructural characterization in 3D samples
H Chan, M Cherukara, TD Loeffler, B Narayanan, ...
npj Computational Materials 6 (1), 1-9, 2020
352020
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), 1-8, 2020
192020
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
182020
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
16*2018
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), 074102, 2014
162014
Phase segmentation in atom-probe tomography using deep learning-based edge detection
S Madireddy, DW Chung, T Loeffler, SKRS Sankaranarayanan, ...
Scientific reports 9 (1), 1-10, 2019
152019
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), 193101, 2019
152019
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
152015
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
142020
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
132017
Accelerating copolymer inverse design using monte carlo tree search
TK Patra, TD Loeffler, SKRS Sankaranarayanan
Nanoscale 12 (46), 23653-23662, 2020
122020
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), 234707, 2013
122013
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
112017
S.(2019)
APH Chan, MJ Cherukara, B Narayanan, TD Loeffler, C Benmore, ...
Examining the effects of robotic service on brand experience: The moderating …, 0
10
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
92020
Vapor–liquid nucleation in two dimensions: On the intriguing sign switch of the errors of the classical nucleation theory
TD Loeffler, DE Henderson, B Chen
The Journal of Chemical Physics 137 (19), 194304, 2012
82012
Ultrafast formation of a transient two-dimensional diamondlike structure in twisted bilayer graphene
D Luo, D Hui, B Wen, R Li, J Yang, X Shen, AH Reid, S Weathersby, ...
Physical Review B 102 (15), 155431, 2020
72020
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), 1-10, 2022
62022
BLAST: bridging length/timescales via atomistic simulation toolkit
H Chan, B Narayanan, M Cherukara, TD Loeffler, MG Sternberg, A Avarca, ...
MRS Advances 6 (2), 21-31, 2021
62021
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Articles 1–20