Cai, Difeng Physics-informed distribution transformers via molecular dynamics and deep neural networks. (English) Zbl 07578917 J. Comput. Phys. 468, Article ID 111511, 21 p. (2022). MSC: 11Kxx 65Dxx 65Nxx PDFBibTeX XMLCite \textit{D. Cai}, J. Comput. Phys. 468, Article ID 111511, 21 p. (2022; Zbl 07578917) Full Text: DOI
Delbary, Fabrice; Hanke, Martin; Ivanizki, Dmitry A generalized Newton iteration for computing the solution of the inverse Henderson problem. (English) Zbl 1461.65109 Inverse Probl. Sci. Eng. 28, No. 8, 1166-1190 (2020). MSC: 65J22 82B21 PDFBibTeX XMLCite \textit{F. Delbary} et al., Inverse Probl. Sci. Eng. 28, No. 8, 1166--1190 (2020; Zbl 1461.65109) Full Text: DOI arXiv
Aktulga, Hasan Metin; Pandit, Sagar A.; van Duin, Adri C. T.; Grama, Ananth Y. Reactive molecular dynamics: numerical methods and algorithmic techniques. (English) Zbl 1387.65128 SIAM J. Sci. Comput. 34, No. 1, C1-C23 (2012). MSC: 65P10 65F08 65F10 65F50 70F10 81V55 PDFBibTeX XMLCite \textit{H. M. Aktulga} et al., SIAM J. Sci. Comput. 34, No. 1, C1--C23 (2012; Zbl 1387.65128) Full Text: DOI Link
Xin, Weidong; Juffer, André H. A boundary element formulation of protein electrostatics with explicit ions. (English) Zbl 1115.92007 J. Comput. Phys. 223, No. 1, 416-435 (2007). Reviewer: Gunther Schmidt (Berlin) MSC: 92C05 92C40 78A70 65N38 PDFBibTeX XMLCite \textit{W. Xin} and \textit{A. H. Juffer}, J. Comput. Phys. 223, No. 1, 416--435 (2007; Zbl 1115.92007) Full Text: DOI