32. Saurabh V. Suryavanshi, Alexander J. Gabourie, A. Barati Farimani, Eric Pop , "Thermal Boundary Conductance of Two-Dimensional MoS2 Interfaces", Arxiv, 2019. (Submitted)

31. Dilip Krishnamurthy, Hasso Weiland, A. Barati Farimani, Erin Antono, Josh Green, and Venkatasubramanian Viswanathan, "Machine Learning Based Approaches to Accelerate Energy Materials Discovery and Optimization", ACS Energy Letters., 2019, 4, pp 187–191

30. Ke Xu, Alexander J Gabourie, Arsalan Hashemi, Zheyong Fan, Ning Wei, A. Barati Farimani, Hannu-Pekka Komsa, Arkady V Krasheninnikov, Eric Pop, Tapio Ala-Nissila, "Thermal Transport in MoS2 from Molecular Dynamics using Different Empirical Potentials", Physical Review B, 99, 054303 , 2019.

Pre-CMU Publications from Stanford and Illinois

29. A. Barati Farimani, Mohammad Heiranian, N. R. Aluru, ” Identification of amino acids with sensitive nanoporous MoS2: towards machine learning-based prediction“, Nature 2D Materials, 2, 14, 2018.

28. A. Barati Farimani, Evan N. Feinberg, Vijay S. Pande “Binding Pathway of Opiates to μ Opioid Receptors Revealed by Unsupervised Machine LearningArxiv, 2018.

27. A. Barati Farimani, Joseph Gomes, Rishi Sharma, Franklin L. Lee, Vijay S. Pande, “Deep Learning Phase SegregationArxiv, 2018.

26. A. Barati Farimani, Joseph Gomes, Vijay S. Pande, “Deep Learning the Physics of Transport PhenomenaArxiv, 2017.

Highlighted in Nature Physics

25. Franklin L. Lee*, A. Barati Farimani*, Kevin L. Gu, Hongping Yan, Michael F. Toney, Zhenan Bao, and Vijay S. Pande “Solution Phase Conformation and Dynamics of Conjugated Iso-indigo-Based Donor-Acceptor Polymer Single Chains“, Journal of Physical Chemistry Letters, 8, pp 5479–5486, 2017.

24. Yoon Kyeung Lee, Ki Jun Yu, Enming Song, A. Barati Farimani, Flavia Vitale, Zhaoqian Xie, Younghee Yoon, Yerim Kim, Andrew Richardson, Haiwen Luan, Yixin Wu, Xu Xie, Timothy H. Lucas, Kaitlyn Crawford, Yongfeng Mei, Xue Feng, Yonggang Huang, Brian Litt, Narayana R. Aluru, Lan Yin, and John A. Rogers “Dissolution of Monocrystalline Silicon Nanomembranes and Their Use as Encapsulation Layers and Electrical Interfaces in Water-Soluble Electronics“, ACS Nano, 2017, 11 (12), pp 12562–12572 .

23. Evan N. Feinberg*, A. Barati Farimani*, Carlos Hernandez, Vijay S. Pande, ”Ligand-Directed Conformational Change of Opioid Receptor Revealed by Kinetic Machine Learning”, biorxiv, 2017.

22. A. Barati Farimani, Mohammad Heiranian, Kyoungmin Min, Narayana Aluru, “Antibody Subclass Detection Using Graphene Nanopore“, Journal of Physical Chemistry Letters, 8 (7), pp1670-1676, 2017.

21. A. Barati Farimani, Payam Dibaeinia, N. R. Aluru,”DNA Origami-Graphene Hybrid Nanopore for DNA Detection”, ACS Applied Material Interfaces, 9 (1), pp 92100, 2017.

*Selected as ACS Editors Choice

20. Bitna Yi, Alam Jahangir, Andrew K. Evans, Denise Briggs, Kristine Ravina, Jacqueline Ernest, A. Barati Farimani, Wenchao Sun, Jayakumar Rajadas, Michael Green, Evan N. Feinberg, Vijay S. Pande, Mehrdad Shamloo ”Discovery of novel brain permeable and G protein-biased beta-1 adrenergic receptor partial agonists for the treatment of neurocognitive disorders”,PLoS ONE, 12(7): e0180319, 2017.

19. E. Yalon, C.J. McClellan, K.K.H. Smithe, M. Muoz Rojo, R.L. Xu, S.V. Suryavanshi, A.J. Gabourie,C.M. Neumann, F. Xiong, A. Barati Farimani, E. Pop, ”Energy Dissipation in Monolayer MoS2 Electronics”, Nano Letters, 17, 3429-3433, 2017.

18. Fang, J. Zhao, K. Yu, E. Song, A. Barati Farimani , C. H. Chiang , X. Jin , Y. Xue , D. Xu , W. Du , K. J. Seo , Y. Zhong , Z. Yang , S. Won , G. Fang , S. W. Choi , S. Chaudhuri , Y. Huang , M. Ashraful Alam , J. Viventi , N.R. Aluru , J. A. Rogers, “Ultra-thin, Transferred Layers of Thermally Grown Silicon Dioxide as Biofluid Barriers for Bio-Integrated Flexible Electronic Systems“, Proceeding of National Academy of Sciences, 113, 42, 11682–11687 2016.

17. A. Barati Farimani, N. R. Aluru, “Existence of Multiple Phases of Water at Nanotube Interfaces”, Journal of Physical Chemistry C, 120,41, pp 23763–23771, 2016.

16. A. Barati Farimani, M. Heiranian, N. R. Aluru, “Nano-electro-mechanical pump: Giant pumping of water in carbon nanotubes”, Scientific Reports, 6, 26211, 2016.

15. M Heiranian, A. Barati Farimani, N.R. Aluru, “Water Desalination with a Single-Layer MoS2 Nanopore”, Nature Communications, 6, Article number 8616, 2015.

14. E. Freeman, A. Barati Farimani, N.R. Aluru, M.K. Philen, “Multiscale Modeling of an Autonomous Biomolecular Material Inspired by Cellular Mechanics”, Biomicrofluidics, 9, 064101, 2015.

13. Guru A. Venkatesan , Joonho Lee , A. Barati Farimani , Mohammad Heiranian , C. Patrick Collier , Narayana R. Aluru , Stephen A. Sarles. ”Adsorption kinetics dictate monolayer self-assembly for both lipid-in and lipid-out approaches to droplet interface bilayer formation”, Langmuir, 31 (47), pp. 12883–12893, 2015.

12. A. Barati Farimani, M. Heiranian and N. R. Aluru, “Electromechanical Signatures for DNA Sequencing through a Mechano-sensitive Nanopore”, Journal of Physical Chemistry Letters, Vol. 6, pp 650–657, 2015.

11. Lan Yin, A. Barati Farimani, Kyoungmin Min, Nandigana Vishal, Jasper Lam, Yoon Kyeung Lee, Narayana R. Aluru, John A. Rogers, “Mechanisms for Hydrolysis of Silicon Nanomembranes as Used in Bioresorbable Electronics“, Advanced Materials, 2015.

10. K. Min, A. Barati Farimani, N. R. Aluru, “Mechanically-Modulated Electronic Properties of Water-Filled Fullerenes”, MRS Communications, Volume 5, Issue 02, pp 305-310, 2015.

9. A. Barati Farimani, K. Min and N. R. Aluru, “DNA base detection using a single-layer MoS2”, ACS Nano, Vol. 8, No. 8, pp. 7914-7922, 2014.

Highlighted in Nature Nanotechnology

8. A. Barati Farimani, N. R. Aluru and E. Tajkhorshid, ”Thermodynamic insight into spontaneous hydration and rapid water permeation in aquaporins”, Applied Physics Letters, Vol. 105, No. 8, Art. No. 083702, 2014.

7. K. Min, A. Barati Farimani and N. R. Aluru, ”Mechanical behaviour of water filled C60”, Applied Physics Letters,Vol. 103, No. 26, Art. No. 263112, 2013.

6. A. Barati Farimani, Y. Wu and N. R. Aluru, ”Rotational motion of a single water molecule in a buckyball”, Physical Chemistry Chemical Physics, Vol. 15, No. 41, pp. 17993-18000, 2013.

5. B. Kumar, K. Min, M. Bashirzadeh, A. Barati Farimani, M.-H. Bae, D. Estrada, Y.D. Kim, P. Yasaei, Y.D. Park, E. Pop, N.R. Aluru, A. Salehi-Khojin, “The Role of External Defects in Chemical Sensing of Graphene Field-Effect Transistors,” Nano Letters, 2013.

4. S. M. H. Karimian, S. Izadi, A. Barati Farimani,A study on the measurement of mean velocity and its convergence in molecular dynamics simulations“.International Journal for Numerical Methods in Fluids,Vol 67, Issue 12, 2130–2140, 2011.

3. A. Barati Farimani and N. R. Aluru, “Spatial diffusion of water in carbon nanotubes: From Fickian to ballistic motion”, Journal of Physical Chemistry B, Vol. 115, No. 42, pp. 12145-12149, 2011.

2. Farimani AB, Ferreira AD, Sousa ACM. “Computational modeling of the wind erosion on a sinusoidal pile using a moving boundary method“, Geomorphology, 130 : 299–311, 2011.

1. Ferreira AD, Farimani A, Sousa ACM. “Numerical and experimental analysis of wind erosion on a sinusoidal pile“. Environmental Fluid Mechanic 11: 167-181, 2011.