University of Southern California
Dr. Tao Wei had his PhD from the University of Southern California in Chemical Engineering and Materials Science. He the recipient of NSF CAREER Award and is a member of AICHE, APS, ACS and BPS, and a senior member of Sigma Xi. Dr. Wei has chaired / co-chaired multiple AICHE and ACS conference sessions about materials simulation, machine learning, nanoparticles, colloids, surfactants, biomaterials and interfaces, served as a reviewer for various journals of ACS and AIP, and NSF proposal review panels in 2016-2020. Dr. Wei has also served the Doctoral and Master’s Committees for over 39 graduate students. Three PhDs and two masters have been graduated from Dr. Wei's group since 2015. His research focuses on bio- and nano- materials by using the combination of multiscale simulations, theory, experiments and machine learning. His research was reported in a feature story in the annual highlight book published by XSEDE in 2018. His laboratory has received grants from different agencies (NSF, ONR, NASA, DoE, etc.) for $3.43 million within recent 5 years ($2.83 million within recent 3 years). Dr. Wei's research laboratory can be found: taoweilab.
University of Southern California
My lab focuses on fundamental studies of interfacial phenomena (adsorption, docking, charge transfer, self-assembling and complex gas-surface or liquid-surface chemical reactions) for the purpose of developing functional materials and biotechnologies to tackle challenges in health, energy and environment. To achieve process-structure-function design, we combine our house-developed multiscale simulation framework (quantum, atomistic, mesoscopic and continuum scales) with theories (Statistical Mechanics and quantum), machine learning and experiments at the interface between chemistry, physics and biology. Based on the fundamental studies, my lab is working on four specific areas: 1) biomaterials (antibiofouling materials, peptide mimics/proteins, DNA/RNA/nucleic acids and lipids) and biotechniques (biosensors, drug delivery, bioremediation and bioenergy); 2) polymer-nanoparticle composite materials for water treatment and semiconducting polymers for polymer photovoltaics; 3) low-dimensional or nanoporous materials (such as graphene sheets, CNT, zeolites and MOFs) for biosensing, energy and pollution control (water/air); 4) materials at severe conditions (such as high temperature and high pressure) for energy applications. Besides the visiting PhD student, three PhDs and two masters have been graduated with the above listed projects.Our research projects were reported as a feature story in the annual highlight book published by NSF/XSEDE in 2018. Our recent research projects about biosensor development (surface enhance Raman and dielectric spectroscopy spectrum) and the fundamental studies of bio-nano interactions and abiotic-biotic interfacial Redox have been funded by NSF, NASA and DoD. Our projects have been supported with grants from different agencies including NSF CAREER Award.More details about my research projects and laboratory can be found at the External Website: taoweilab .
We have received more than $ 3.0-million grants within recent 5 years from different agencies (NSF, ONR, NASA, DoE etc.) and several awards including NSF CAREER
Please find my lab from the external website: taoweilab
for excellent research and ABET service, 2019
for excellent research
More than $ 3.0-million grants within recent 5 years (including $2.4 million since 2018) from NSF, NASA, ONR, DoE including CAREER Award.
Pranab Sarker, Md Symon Jahan Sajib, Xiuping Tao*, Tao Wei* "Multiscale Simulation of Protein Corona Formation on Silver Nanoparticles: Study of Ovispirin-1 Peptide Adsorption" Journal of Physical Chemistry, B, DOI: 10.1021/acs.jpcb.1c08267
Hao Huang, Chengcheng Zhang, Ralph Crisci, Tieyi Lu, Hsiang-Chieh Hung, Md Symon Jahan Sajib, Pranab Sarker, Jinrong Ma, Tao Wei*, Shaoyi Jiang*, Zhan Chen*, "Strong Surface Hydration and Salt Resistant Mechanism of a New Nonfouling Zwitterionic Polymer Based on Protein Stabilizer TMAO" J. Am. Chem. Soc. 2021, 143, 40, 16786–16795
Wen Guo, Xingquan Zou, Hanjie Jiang, Karl J. Koebke, Marie Hoarau, Ralph Crisci, Tieyi Lu, Tao Wei*, E. Neil G. Marsh*, Zhan Chen*, “Molecular Structure of Surface Immobilized Super Uranyl Binding Protein” Journal of Physical Chemistry, B, 2021, 125, 28, 7706–7716
Zheng S*, Sajib MSJ, Wei Y, Wei T*, "Discontinuous Molecular Dynamics Simulations of Biomolecule Interfacial Behavior: Study of Ovispirin-1 Adsorption on a Graphene Surface" Journal of Chemical Theory and Computation, 2021, 17 (3),1874–1882
Zuo Y*, Uspal W*, Wei T*, "Airborne Transmission of COVID-19: Aerosol Dispersion, Lung Deposition, and Virus-Receptor Interactions" ACS Nano, 2020, 14 (12), 16502
Wei Y*, Chin K*, Barge LM, Perl S, Hermis N, Wei T*, "Machine Learning Analysis of the Thermodynamic Responses of In-situ Dielectric Spectroscopy Data in Amino Acids and Inorganic Electrolytes", Journal of Physical Chemistry, B, 2020, 124 (50), 11491
Sajib MSJ, Sarker P, Wei Y*, Tao X*, Wei T*, "Protein Corona on Gold Nanoparticles Studied with Coarse-Grained Simulations", Langmuir, 2020, 36, 13356
Adeagbo A, Wei T, Clayborne AZ* “Computational comparative analysis of small atomically precise copper cluster”, Journal of Physical Chemistry A , 2020, 124, 32, 6504.
Sajib MSJ, Wei Y, Mishra A, Zhang L, Nomura K, Kalia RK, Vashishta P, Nakano A*, Murad S*, Wei T* (corresponding author), "Atomistic Simulations of Biofouling and Molecular Transfer of Crosslinked Aromatic Polyamide Membrane for Desalination", Langmuir , 2020, 36, 7658
Wei T* (corresponding author), Ren C*, “Theoretical Simulation Approaches to Polymer Research”. In Polymer Science and Innovative Applications, pp. 207-228. Elsevier, 2020.
Samieegohar M, Sha F, Clayborne AZ, Wei T* (corresponding author), “ReaxFF MD Simulations of Peptide-Grafted Gold Nanoparticles", Langmuir 2019, 35, 5029
Guerrero I*, Gonz´alez-Tovar E, Ch´avez-P´aez M, Wei T, “Expansion and shrinkage of the electrical double layer in charge-asymmetric electrolytes: A non-linear Poisson-Boltzmann description”, Journal of Molecular Liquids, 2019, 277, 104-113
van der Munnik NP, Sajib MSJ, Moss MA, Wei T, Uline MJ*, “Determining the potential of mean force for Amyloid-β dimerization: combining self consistent field theory with molecular dynamics simulation”, Journal of Chemical Theory and Computation 2018, 14 (5), 2696.
Yen T, Fu X, Wei T, Nayak R, Si Y, Lo YH*, “Reversing coffee-ring effect by laser-induced differential evaporation”, Scientific Reports, 8, 3157, 2018.
Sajib MSJ, Samieegohar M, Wei T* (corresponding author), Shing K*, “Atomic-level simulation study of n-hexane pyrolysis on silicon carbide surfaces”. Langmuir, 33 (42), 11102-11108, 2017.
Samieegohar M, Ma H, Sha F, Sajib MSJ, Guerrero I, Wei T* (corresponding author), “Understanding the interfacial behavior of lysozyme on Au (111) surfaces with multiscale simulations”. Applied Physics Letters, 110 (7), 073703, 2018
Zhang T, Wei T, Han Y, Ma H, Samieegohar M, Chen PW, Lian I, Lo YH, "Transient induced molecular electronic spectroscopy (TIMES) for protein-ligand interaction detection: experimental and theoretical studies", ACS Central Science, 2 (11), 834, 2016.
Wei T* (corresponding author), Ma H, Nakano A*, “Decaheme cytochrome MtrF adsorption and electron transfer on gold surface”. Journal of Physical Chemistry Letters, 7, 929, 2016.
Wei T* (corresponding author), Zhang L, Zhao H, Ma H, Murad S*, "Aromatic polyamide reverse osmosis membrane: an atomistic molecular dynamic simulation” Journal of Physical Chemistry B, 120, 10311, 2016.
Nakano CM, Moen E, Byun HS, Ma H, Newman B, McDowell A, Wei T* (corresponding author), and Mohamed Y. El-Naggar*, “iBET: immersive visualization of biological electron-transfer dynamics”, Journal of Molecular Graphics and Modelling, 65, 94, 2016.
Wei T* (corresponding author), Sajib MSJ, Samieegohar M, Ma H, Shing K*, “Self-assembled monolayers of azobenzene derivative on silica and their interactions with lysozyme”, Langmuir, 31 (50), 13543, 2015.
Nakano CM, Sajib MSJ, Samieegohar M, Wei T* (corresponding author), “Field-induced stacking transition of biofunctionalized trilayer graphene”. Applied Physics Letters, 108, 051601, 2015.
Nakano CM, Ma H, Wei T* (corresponding author), “Study of lysozyme mobility and binding free energy during adsorption on a graphene surface”, Applied Physics Letters, 106, 153701, 2015.
Niu Y, Huang T, Zhou Z, Xu G, Zhang L, Wei T, “Formation of cyclodextrin monolayer through a host-guest interaction with tailor-made phenyltriethoxysilane self-assembled monolayer”, Colloids and Surfaces A, 470, 224, 2015.
Nakano CM, Byun HS, Ma H, Wei T* (corresponding author), Mohamed Y. El-Naggar, “A framework for stochastic simulations and visualization of biological electron-transfer dynamics”, Computer Physics Communications, 193, 1, 2015.
Wei T* (corresponding author), Huang T, Qiao B, Zhang M, Ma H, Zhang L, “Structures, dynamics and water permeation free energy across bilayers of lipid A and its analog studied with molecular dynamics simulation”, Journal of Physical Chemistry B, 118, 13202, 2014.
Wei T, Carignano MA, Szleifer I, “Molecular dynamics simulation of lysozyme adsorption/desorption on hydrophobic surfaces”, Journal of Physical Chemistry B, 116 (34), 10189, 2012.
Wei T, Carignano MA, Szleifer I, “Lysozyme adsorption on polyethylene surfaces: why are long time simulations needed?”, Langmuir, 27(19), 12074, 2011.
Wei T, Kaewtathip S, Shing K, “Buffer effect on protein adsorption at liquid/solid interface”, Journal of Physical Chemistry C, 113 (6), 2053, 2009.
Wei T, Mu S, Nakano A, Shing K, “A hybrid multi-loop genetic-algorithm/simplex/ spatial-grid method for locating the optimum orientation of an adsorbed protein on a solid surface”, Computer Physics Communications, 180 (5), 669, 2009.
Lu H, Shen H, Song Z, Shing K, Wei T, Steven Nutt, “Rodlike silicate-epoxy nanocomposites”, Macromolecular Rapid Communications, 26 (18), 1445, 2005.
Ji X, Chen D, Wei T, Lu X, Wang Y, Shi J, "Determination of dissolution kinetics of K2SO4 crystal with ion selective electrode", Chemical Engineering Science, 56 (24), 7017-7024, 2001.
2021Pranab Sarker, Md Symon Jahan Sajib, Tao Wei, "Ab Initio Molecular Dynamics Simulations of the Hydration of Zwitterions", AICHE Fall Meeting, 2021. (submitted)Md Symon Jahan Sajib, Pranab Sarker, Xiuping Tao, Tao Wei, "Protein Corona Formation Studied with Multiscale Simulations" AICHE Fall Meeting, 2021. (submitted)Tao Wei, "Simulation Studies of Zwitterionic Materials for Antibiofouling from Quantum and Atomistic Scales", AICHE Fall Meeting, 2021. (submitted)Tao Wei, "Atomistic Simulations of Aromatic Polyamide Membrane", AICHE Fall Meeting, 2021. (submitted)Pranab Sarker, Symon Sajib, Tao Wei, "Quantum Dynamics and Atomistic Molecular Dynamics Simulations of Zwitterionic TMAO Surface’s Hydration and Antibifouling", ACS Spring National Meeting, 2021. Md Symon Jahan Sajib, Ying Wei, Ankit Mishra, Lin Zhang, Ken-Ichi Nomura, Rajiv K. Kalia,Priya Vashishta, Aiichiro Nakano, Sohail Murad, Tao Wei, "Atomistic Simulations of Biofouling and Molecular Transfer of a Cross-linked Aromatic Polyamide Membrane for Desalination", ACS Spring National Meeting, 2021. Chi Zhang, Md Symon Jahan Sajib, Guangle Bua,Lida Meng, Shiying Xu, Size Zheng, Lin Zhang, Tao Wei, "Atomistic molecular dynamics simulations of polymer membrane crosslinking and surface modifications", ACS Spring National Meeting, 2021. Md Symon Jahan Sajib, Pranab Sarker, Yong Wei, Xiuping Tao, Tao Wei, "Understanding Protein Corona Formation from Coarse-Grained and Atomistic Molecular Dynamics", ACS Spring National Meeting, 2021. 2020Samentha Dumervil, Steve Vance, Keth Chin, Tao Wei, "Electrical Conductivity and Magnetic Induction on Europa", AGU Fall National Meeting, San Francisco, 2020. 2019Merina Jahan, Heng Ma, Mark J. Uline, Tao Wei, "Atomistic Simulation and Molecular Field Theory Study of DNA Hybridization in Self-Assembling Monolayer Surfaces", AICHE Fall National Meeting, Orlando, 2019. Size Zheng, Ying Wei, Chidumebi Alim, Eliel Akinbami, Md Symon Jahan Sajib, Tao Wei "Formation of Protein Corona on A Gold Nanoparticle Studied with Discontinuous Molecular Dynamics and Atomistic Molecular Dynamics Simulations", AICHE Fall National Meeting, Orlando, 2019. Md Symon Jahan Sajib, Tao Wei, "Molecular Understanding of Polyamide Membrane in Desalination at Equilibrium and Nonequilibrium States Using Molecular Simulations", AICHE Fall National Meeting, Orlando, 2019. Sajib, MSJ, Wilson JB, Barge LM, Chin K, Wei T, "Interfacial Behavior of Amino Acid Residues on Gold Surfaces Studied with Electrical Spectroscopy and Atomistic ReaxFF Simulations ", ACS Fall National Meeting, San Diego, 2019. Chin K, Wei T, Hermis N, Pasalic J, Perl S, Barge LM, “Electrochemical Properties Characterization of Planetary Analogues by Electrical Spectroscopy”, Astrobiology Science Conference, Seattle, 2019. (accepted)Wei T, "Interactions of gold nanoparticles with phospholipid bilayer studied with coarse-grained molecular dynamics simulations", ACS Spring National Meeting, Orlando, 2019.2018Tao Wei, "Peptide-grafted Gold Nanoparticles Studied with ReaxFF MD Simulations", ACS Fall National Meeting, Boston, 2018 Tao Wei, “Silicon Carbide Surfaces for Pyrolysis Studied with ReaxFF MD Simulations”, ACS Spring National Meeting, New Orleans, 2018 2017Md Symon Jahan Sajib, Tao Wei, “A Non-Equilibrium Molecular Dynamics (NEMD) Simulation of the Crosslinked Polyamide Membranein Water Desalination”, AICHE Fall National Meeting, Minneapolis, 2017.Nicholas P. van der Munnik, Kathleen Mingle, Tao Wei, Jochen Lauterbach, Mark J. Uline, Melissa A. Moss, “Polyacid-Functionalized Gold Nanoparticles As an Amyloid-β Inhibitor Platform”, AICHE Fall National Meeting, Minneapolis, 2017.2016Heng Ma, Tao Wei, “Study of ion behavior, morphology and hybridization on DNA self assemble membrane via molecular dynamics” AICHE Fall National Meeting, San Francisco, 2016.Md Symon Jahan Sajib, Tao Wei, “Molecular simulations of reverse osmosis aromatic polyamide membrane: mechanical properties, desalination, crosslinking degree and monomers’ isomer”, AICHE Fall National Meeting, San Francisco, 2016.Mohammadreza Samieegohar, Tao Wei, “Protein interfacial behavior studied with multiscale simulations” AICHE Fall National Meeting, San Francisco, 2016.Nicholas P. van der Munnik, Symon Sajib, Tao Wei, Melissa A. Moss, Mark J. Uline, “Statistical thermodynamic modeling of early Amyloid-β oligomer formation: explicit and implicit incorporation of hydrogen bonding in a self-consistent field framework”, AICHE Fall National Meeting, San Francisco, 2016. Tao Wei, "Biohybrid of Multi-heme Cytochrome and Surfaces of Au and Graphene: Protein Adsorption and Electron Transfer", ACS Fall National Meeting, Philadelphia, 2016. Mohammadreza Samieegohar, Tao Wei, “Multiscale simulation of proteins’ motion in a microchannel”, AIChE Spring National Meeting, Houston, 2016. Tiantian Zhang, Heng Ma, Ian Lian, Tao Wei, Yu-Hwa Lo, “Development of transient induced Molecular Electronic Spectroscopy (TIMES) for protein-ligand interactions”, ACS Spring National Meeting, San Diego, 2016. (Best ACS Presentation Award) Heng Ma, Md. Symon Sajib, Tao Wei, “Adsorption and electron transfer of deca-heme cytochrome (MtrF) studied with atomistic simulations and kinetic Monte Carlo simulation”, ACS Spring National Meeting, San Diego, 2016. Hye Suk Byun, , C. Masato Nakano, Heng Ma, Tao Wei, Mohamed Y. El-Naggar, “Divide-conquer-recombine kinetic Monte Carlo simulations of electron transfer in the extracellular redox network of Shewanella oneidensis MR-1”, Biophysical Society Spring Meeting, Los Angeles, 2016. 2015Heng Ma, C. Masato Nakano, Hye Suk Byun, Mohamed Y. El-Naggar, Tao Wei, “Adsorption and Electron Transfer of Bacterial Decaheme Cytochrome Mtrf on Gold Surface Studied with Atomistic Molecular Dynamics Simulation, Free Energy Computation and Kinetic Monte Carlo Simulation”, AIChE Fall National Meeting, Salt Lake City, 2015. Mohammadreza Samieegohar, Tao Wei, Ian Lian, Liangbiao Chen, “The Fluidization and Adsorption of Soft Particles Studied with Hybrid Element Method and Fluid Dynamics” AIChE Fall National Meeting, Salt Lake City, 2015. Nicholas P. van der Munnik, Tao Wei, Melissa A. Moss, Mark J. Uline, “Statistical Thermodynamics of Amyloid-β Oligomerization” AIChE Fall National Meeting, Salt Lake City, 2015. Heng Ma, Ian Lian, Tao Wei, “DNA Hybridization on Silica Surface for Gene Chip Design Studied with Molecular Dynamics Simulations”, AIChE Spring National Meeting, Austin, 2015. Symon Sajib, Tao Wei, Katherine Shing, “Lysozyme Adsorption and Desorption on the Azobenzene Self-Assembling Surfaces Studied with Molecular Dynamics Simulations”, AIChE Spring National Meeting, Austin, 2015. Heng Ma, Tao Wei, “Structures, Dynamics, and Water Permeation Free Energy Across Bilayers of Lipid a and Its Analog Studied with Molecular Dynamics Simulation”, AIChE Spring National Meeting, Austin, 2015. Tao Wei, Katherine Shing, “Interactions of Lysozyme and Azobenzene Derivatives in the Solution and on a Surface”, APS Spring National Meeting, San Antonio, Spring 2015. 2014 & Before Heng Ma, Haiyang Zhao, Lin Zhang, Tao Wei, “Atomistic Modeling of Cross-Linked Polyamide/Graphene and Polyamide/Graphene Oxide Composites Reverse Osmosis Membrane”, AIChE Fall National Meeting, Atlanta, 2014. Haiyang Zhao, Tao Wei, Lin Zhang, “Water permeability of polyamide/graphene and polyamide/graphene oxide composites reverse osmosis membrane studied with atomistic simulations”, ACS Fall National Meeting, San Francisco, 2014. Tao Wei, Robert Riggleman, “Phase Behavior of Rod-Coil Block Copolymers in the Melt and At Fluid Interfaces”, AIChE Fall National Meeting, San Francisco, 2013. Tao Wei, Robert Riggleman, “Phase Behaviors of Rod-Coil Block Copolymer in Three Dimension Studied by Monte Carlo Simulations”, APS Spring National Meeting, Baltimore, 2013. Tao Wei, Mo Zhang, Lin Zhang, “Atomistic Modeling of Lipid A and Its Analogue Supramolecular Bilayer Assembly in Solution”, ACS Spring National Meeting, Philadelphia, 2012. Feng Sha, Ying Wei, Tao Wei, “Parallel molecular dynamics simulatio of lysozyme hydration on IBM blade center cluster”, Proceeding of IEEE International Conference on Intelligent Computing and Intelligent Systems, 2010, 2, 479-482. Tao Wei, Marcelo A. Carignano, Igal Szleifer, “Hydration and Structrual Deformation of Lysozyme upon Adsorption on a Polyethylene Surface Studied by Molecular Dynamics Simulation”, ACS Spring National Meeting, Anaheim, 2011. Tao Wei, Wei Chen, “Non-equilibrium Molecular Dynamics Simulation Study of the Transport of Pure CO2 and CO2/CH4 Mixture through Nanopore the Framework of Zeolites (MFI and LTA) and Metal-Organic Frameworks (Cu-BTC)”, ACS Spring National Meeting, San Francisco, 2010. Tao Wei, Shengjing Mu, Aiichiro Nakano, Katherine Shing, “Locating Optimum Orientations of Adsorbed Protein on a Solid Surface using a Hybrid Genetic Algorithm and Spatial Grid Method”, AICHE Spring National Meeting, New Orleans, 2008. Tao Wei, Sarawut Kaewtathip, Katherine Shing, “Buffer Effect on Protein Adsorption on Solid Surfaces”, ACS Spring National Meeting, New Orleans, 2008.
Tao Wei, “Simulations of Materials Interfacial Reactions”. Chemistry Department, Stony Brook University, Feb., 2021.Tao Wei, “Simulation Studies of Zwitterionic and Amphiphilic Surfaces for Antibiofouling and Fouling Release”, Office of Naval Research (ONR) Antifouling & Fouling Release Coatings Program Review, Nov. 2020. Tao Wei, "Simulation Studies of Surface-Modified Polyamide-Nanoparticle (Iron Oxide and Graphene Oxide) Composite Membrane for Water Treatment", NSF meeting of U.S.-Africa Collaborations: Nanoscale Interactions and Nanotechnology Convergence, Sept, 2020.Tao Wei, “Biomaterials and Polymer Membrane Design Using Multiscale Simulations (Quantum, Atomistic and Coarse-grained)”, Depart. of Electrical Engineering and Computer Science, Howard University, 2020 Tao Wei, "Simulations Studies of Surface Reactions”, the Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, Sept, 2020. Tao Wei, "Computer Simulations for Biointerfaces and Biosensor Design”, Biochemistry and Molecular Biology Department, Howard University, 2019.Tao Wei, "Atomistic Molecular Simulations of Polyamide Membrane in Desalination at Equilibrium and Nonequilibrium States", US-Africa Forum on Nanotechnology Convergence for Sustainable Energy, Water and Environment”, Johannesburg, South Africa, 2019. Tao Wei, "Multiscale Simulations of Extracellular Electron Transfer across Multiple-heme Proteins", US-Africa Forum on Nanotechnology Convergence for Sustainable Energy, Water and Environment”, Johannesburg, South Africa, 2019. Tao Wei, "Simulation Study of Polymer Membrane and Lipid Bilayers", NIST, July, 2019Tao Wei, “Water Diffusive Behavior inside Polymer Membrane, across Lipid Layers and on Protein Surfaces”, NIH, February, 2019 Tao Wei, “Atomistic Simulations and Statistical Mechanics in Materials Research”, the Chemistry Department at Howard University, February, 2019 Tao Wei, “Biointerfacial behavior and biosensing”, NASA/JPL, January, 2019Tao Wei, "Study of Interfacial Phenomena for Applications in the Development of Ceramic Materials and Biotechnologies", Department of Mechanical & Aerospace Engineering at George Washington University, Feb. 2018. Tao Wei, “Study of Protein Interfacial Phenomena and its Applications in Biotechnology”, National Forum of the Functional Nano-materials and Interface, Su Zhou, China, December, 2017.Tao Wei, “Study of Biointerfacial Phenomena for Applications in Functional Materials and Biotechnologies”, Biomedical Engineering Department, Southeast University, China, December, 2017. Tao Wei, “Studies of Interfacial Phenomena for Applications in Biotechnologies and Water Treatment”, Physics Department, Trinity University, Texas, February, 2017 Tao Wei, “Protein Interfacial Phenomena (Adsorption, Electron Transfer and the Induced Surface Polarization) with Mutiscale Simulations”, Institute of Physics, the Autonomous University of San Luis Potosí, México, October 2016.Tao Wei, “Molecular simulations of bio-interfacial phenomena for functional materials design”, ENN Energy Research Institute, China, January 2016.Tao Wei, “Computer simulations of bio-interface for applications in sustainable energy”, Department of Chemical and Biological Engineering, Zhejiang University, China, January 2016.
Md Symon Jahan Sajib, PhD Dissertation, November, 2017, "Atom-level simulation study of interfacial interactions: self-assembling monolayer surfaces, silicon carbide ceramic materials and polymer membrane"Tejus Mane, Master Thesis, July, 2017, "Understanding Tetracycline Stricture's Role in Promoting Anti-inflammatory Response Using Atomistic Simulation, Docking Analysis and Creative Synthesis"Mohammadreza Samieegohar, PhD Dissertation, July 2017, "Molecular Understanding of Biointerfacial Behavior for Biosensing and High-Temperature Interfacial Chemical Reactions in Pyrolysis"Heng Ma, PhD Dissertation, July, 2017, "Biointerfacial Phenomena: Water Permeation, Protein adsorption, Electron Transfer and DNA Hybridization"Mohammadreza Samieegohar, Master Thesis, Dec. 2015, “Multiscale Modeling and Simulation of Proteins Motion in the Microchannel”