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Research in our group focuses on development and application of theoretical and computer simulation techniques for the study of properties of fluids and materials. Emphasis is on molecular-based models that explicitly represent the main interactions among microscopic constituents of a system. These models can be used to predict the behavior of materials at conditions inaccessible to experiment and to gain a fundamental understanding of the microscopic basis for the observed macroscopic properties. Our work usually requires large-scale numerical calculations involving a number of powerful molecular simulation methodologies. An example of such a methodology is Gibbs ensemble Monte Carlo, which provides a direct way to obtain coexistence properties of fluids from a single simulation.
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论文共 436 篇作者统计合作学者相似作者
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Nature Chemistrypp.1-10, (2024)
FARADAY DISCUSSIONSno. 0 (2024): 98-113
Esmaeel Moghimi,Iurii Chubak,Konstantinos Ntetsikas,Georgios Polymeropoulos,Xin Wang, Consiglia Carillo,Antonia Statt, Luca Cipelletti,Kell Mortensen,Nikos Hadjichristidis,Athanassios Z. Panagiotopoulos,Christos N. Likos,
MACROMOLECULESno. 3 (2024): 926-939
The journal of physical chemistry. Bno. 2 (2023): 430-437
Physical review lettersno. 7 (2023): 076801-076801
arxiv(2023)
JOURNAL OF CHEMICAL AND ENGINEERING DATAno. 1 (2023): 204-214
The journal of physical chemistry. Bno. 42 (2023): 9165-9171
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arXiv (Cornell University) (2023)
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