Chen's group
2024
Pressure induced structural and electronic band transition in CsPbBr3
D Zhang, S Mandal, DY Chung, J Xu, N Shan, MG Kanatzidis, M Chen, Communications Chemistry 7 (1), 175
Noise reduction of stochastic density functional theory for metals
JP Vu, M Chen, The Journal of Chemical Physics 160 (21)
Unbiasing Enhanced Sampling on a High-Dimensional Free Energy Surface with a Deep Generative Model
Y Liu, TK Ghosh, G Lin, M Chen, The Journal of Physical Chemistry Letters 15 (14), 3938-3945
How Solvation Energetics Dampen the Hydrogen Evolution Reaction to Maximize Zinc Anode Stability
K Roy, A Rana, TK Ghosh, JN Heil, S Roy, KJ Vannoy, BM Tackett,M Chen, J E Dick, Advanced Energy Materials 14 (15), 2303998
2023
D Zhang, J Xu, P Dera, B Chen, M Chen, AGU Fall Meeting Abstracts 2023 (52), MR21B-0052
Dimensionality Engineering of Lead Organic Chalcogenide Semiconductors
H Yang, S Mandal, YH Lee, JY Park, H Zhao, C Yuan, L Huang, M Chen, Letian Dou, Journal of the American Chemical Society
Backdiff: a Diffusion Model for Generalized Transferable Protein Backmapping
Y Liu, M Chen, G Lin, arXiv preprint arXiv:2310.01768
Molecular van der Waals Fluids in Cavity Quantum Electrodynamics
JP Philbin, TS Haugland, TK Ghosh, E Ronca, M Chen, P Narang, H Koch, The Journal of Physical Chemistry Letters 14 (40), 8988-8993
K Zhu, Y Tao, S Mandal, M Chen, CW Li, ACS Applied Nano Materials
Understanding the polaritonic ground state in cavity quantum electrodynamics
TS Haugland, JP Philbin, TK Ghosh, M Chen, H Koch, P Narang, arXiv:2307.14822
Manifold Learning in Atomistic Simulations: A Conceptual Review
J. Rydzewski, M. Chen, O. Valsson, arXiv:2303.08486
Structure Optimization with Stochastic Density Functional Theory.
M. Chen, R. Baer, E. Rabani, arXiv preprint, The Journal of Chemical Physics 158 (2)
2022
Reweighted Manifold Learning of Collective Variables from Enhanced Sampling Simulations
J Rydzewski, M Chen, TK Ghosh, O Valsson, Journal of Chemical Theory and Computation 18 (12), 7179-7192
Molecular van der Waals fluids in cavity quantum electrodynamics
JP Philbin, TS Haugland, TK Ghosh, E Ronca, M Chen, P Narang, H Koch, arXiv preprint arXiv:2209.07956
D. Zhang, J. Xu, P. Dera, B. Chen, M. Chen, P. Eng, V. Prakapenka, 2022 Goldschmidt Conference
2021
Silicon isotope fractionation constrained by single crystal X-ray diffraction
D. Zhang, M. Chen, P. Dera, P. Eng, AGU Fall Meeting Abstracts, MR12A-05
Collective variable-based enhanced sampling and machine learning
M. Chen, The European Physical Journal B 94, 211
D. Zhang, M. Chen, P. Dera, P. Eng, Contributions to Mineralogy and Petrology 176 (9), 1-17
Stochastic density functional theory: Real-and energy-space fragmentation for noise reduction
M. Chen, R. Baer, D. Neuhauser, E. Rabani, The Journal of Chemical Physics 154 (20), 204108
Boost Efficiency for Stochastic Density Functional Theory with a Unified Strategy
M Chen, R Baer, D Neuhauser, E Rabani, APS March Meeting Abstracts 2021, F19. 008
2020
W. Dou, M. Chen, T.Y. Takeshita, R. Baer, D. Neuhauser, E. Rabani, The Journal of chemical physics 153 (7), 074113
A.J. Lee, M. Chen, W. Li, D. Neuhauser, R. Baer, E. Rabani, Physical Review B 102 (3), 035112
W. Dou, T. Takeshita, M. Chen, R. Baer, D. Neuhauser, E. Rabani, Bulletin of the American Physical Society 65
2019
Stochastic embedding DFT: Theory and application to p-nitroaniline in water
W. Li, M. Chen, E. Rabani, R. Baer, D. Neuhauser, The Journal of chemical physics 151 (17), 174115
W. Dou, T.Y. Takeshita, M. Chen, R. Baer, D. Neuhauser, E. Rabani, Journal of chemical theory and computation 15 (12), 6703-6711
Energy window stochastic density functional theory
M. Chen, R. Baer, D. Neuhauser, E. Rabani, The Journal of chemical physics 151 (11), 114116
Stochastic embedding DFT: theory and application to p-nitroaniline
W. Li, M. Chen, E. Rabani, R. Baer, D. Neuhauser, arXiv preprint arXiv:1905.07099
Overlapped embedded fragment stochastic density functional theory
M. Chen, D. Neuhauser, R. Baer, E. Rabani, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257
Overlapped embedded fragment stochastic density functional theory for covalently-bonded materials
M. Chen, R. Baer, D. Neuhauser, E. Rabani, The Journal of chemical physics 150 (3), 034106
Shieldnets: Defending against adversarial attacks using probabilistic adversarial robustness
R. Theagarajan, M. Chen, B. Bhanu, J. Zhang, Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern Recognition
2018
Unfolding hidden barriers by active enhanced sampling
J. Zhang, M. Chen, Physical review letters 121 (1), 010601
2016
Resorcinol crystallization from the melt: a new ambient phase and new “riddles”
Q. Zhu, A.G. Shtukenberg, D.J. Carter, T.Q. Yu, J. Yang, M. Chen, P. Raiteri, et al., Journal of the American Chemical Society 138 (14), 4881-4889
Exploring and Sampling on High Dimensional Free Energy Surfaces
​M. Chen, New York University
2015
Locating landmarks on high-dimensional free energy surfaces
M Chen, TQ Yu, ME Tuckerman, Proceedings of the National Academy of Sciences 112 (11), 3235-3240
2014
T.Q. Yu, P.Y. Chen, M. Chen, A. Samanta, E. Vanden-Eijnden, M. Tuckerman, The Journal of chemical physics 140 (21), 06B603_1
Sampling saddle points on a free energy surface
A. Samanta, M. Chen, T.Q. Yu, M. Tuckerman, W E, The Journal of Chemical Physics 140 (16), 04B610_1
2012
Exploring the free energy landscapes of biomolecules and crystalline polymorphs
M.E. Chen, T.Q.E. Yu, M.E. Cuendet, M.E. Tuckerman, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244
Heating and flooding: A unified approach for rapid generation of free energy surfaces
M. Chen, M.A. Cuendet, M.E. Tuckerman, The Journal of Chemical Physics 137 (2), 024102