Troy D. Loeffler
Tytuł
Cytowane przez
Cytowane przez
Rok
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
392019
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
142015
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
132014
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: 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
92017
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
7*2018
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
72017
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
62020
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
62012
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
52019
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
32020
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
22019
Teaching an old dog new tricks: Machine learning an improved tip3p potential model for liquid–vapor phase phenomena
TD Loeffler, H Chan, K Sasikumar, B Narayanan, MJ Cherukara, S Gray, ...
The Journal of Physical Chemistry C 123 (36), 22643-22655, 2019
22019
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
12020
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
1*2020
Machine Learning the Metastable Phase Diagram of Materials
S Srinivasan, R Batra, D Luo, T Loeffler, S Manna, H Chan, L Yang, ...
arXiv preprint arXiv:2004.08753, 2020
12020
Active learning a coarse-grained neural network model for bulk water from sparse training data
TD Loeffler, TK Patra, H Chan, SKRS Sankaranarayanan
Molecular Systems Design & Engineering, 2020
12020
Promoting Noncovalent Intermolecular Interactions Using a C60 Core Particle in Aqueous PC60s-Covered Colloids for Ultraefficient Photoinduced Particle Activity
YJ Kim, TD Loeffler, Z Chen, SKRS Sankaranarayanan
ACS applied materials & interfaces 11 (42), 38798-38807, 2019
12019
“Teamwork Makes the Dream Work”: Tribal Competition Evolutionary Search as a Surrogate for Free-Energy-Based Structural Predictions
TD Loeffler, H Chan, S Gray, SKRS Sankaranarayanan
The Journal of Physical Chemistry A 123 (17), 3903-3910, 2019
12019
Ultrathin metasurface for the visible light based on dielectric nanoresonators
H Cai, S Srinivasan, D Czaplewski, A Martinson, T Loeffler, ...
High Contrast Metastructures VIII 10928, 109281M, 2019
12019
Nie można teraz wykonać tej operacji. Spróbuj ponownie później.
Prace 1–20