Nuwan De Silva
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Explore the profile of Nuwan De Silva including associated specialties, affiliations and a list of published articles.
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16
Citations
242
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Recent Articles
1.
Smith D, Lolinco A, Glick Z, Lee J, Alenaizan A, Barnes T, et al.
J Chem Phys
. 2021 Dec;
155(20):204801.
PMID: 34852489
Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, and interoperable interfaces that work with existing community codes to provide more functionality and composability than could...
2.
Barca G, Bertoni C, Carrington L, Datta D, De Silva N, Deustua J, et al.
J Chem Phys
. 2020 Apr;
152(15):154102.
PMID: 32321259
A discussion of many of the recently implemented features of GAMESS (General Atomic and Molecular Electronic Structure System) and LibCChem (the C++ CPU/GPU library associated with GAMESS) is presented. These...
3.
Sutton J, Roy S, Chowdhury A, Wu L, Wanhala A, De Silva N, et al.
ACS Appl Mater Interfaces
. 2020 Mar;
12(14):16327-16341.
PMID: 32180402
Ce-bastnäsite is the single largest mineral source for light rare-earth elements. In view of the growing industrial importance of rare-earth minerals, it is critical to develop more efficient methods for...
4.
De Silva N, Adreance M, Gordon M
J Comput Chem
. 2018 Oct;
40(2):310-315.
PMID: 30368848
The Grimme-D3 semi-empirical dispersion energy correction has been implemented for the original effective fragment potential for water (EFP1), and for systems that contain water molecules described by both correlated ab...
5.
Manatunga D, de Silva R, de Silva K, De Silva N, Premalal E
R Soc Open Sci
. 2018 Feb;
5(1):171557.
PMID: 29410859
This study was focused on the preparation of metal and polymer-mediated porous crystalline hydroxyapatite (HAp) nanocomposites for environmental applications. Four different nano HAp systems were synthesized, namely, microwave irradiated HAp...
6.
Wijesena R, Tissera N, Abeyratne C, Bangamuwa O, Ludowyke N, Dahanayake D, et al.
Carbohydr Polym
. 2017 Jul;
173:295-304.
PMID: 28732869
Chitin and chitin derivatives have gained significant research interest over the years due to a number of beneficial properties that can be exploited in various application fields. Particularly, interactions between...
7.
Jayasinghe C, Gunasekera D, De Silva N, Jayawardena K, Udagama P
BMC Complement Altern Med
. 2017 Apr;
17(1):230.
PMID: 28446195
Background: The leaf concentrate of Carica papaya is a traditionally acclaimed immunomodulatory remedy against numerous diseases; nonetheless comprehensive scientific validation of this claim is limited. The present study thus investigated...
8.
Manatunga D, de Silva R, de Silva K, De Silva N, Bhandari S, Yap Y, et al.
Eur J Pharm Biopharm
. 2017 Mar;
117:29-38.
PMID: 28330763
Developing a drug carrier system which could perform targeted and controlled release over a period of time is utmost concern in the pharmaceutical industry. This is more relevant when designing...
9.
Zahariev F, De Silva N, Gordon M, Windus T, Perez Garcia M
J Chem Inf Model
. 2017 Feb;
57(3):391-396.
PMID: 28169538
A newly created object-oriented program for automating the process of fitting molecular-mechanics parameters to ab initio data, termed ParFit, is presented. ParFit uses a hybrid of deterministic and stochastic genetic...
10.
McCann B, De Silva N, Windus T, Gordon M, Moyer B, Bryantsev V, et al.
Inorg Chem
. 2016 Feb;
55(12):5787-803.
PMID: 26883005
Computer-aided molecular design and high-throughput screening of viable host architectures can significantly reduce the efforts in the design of novel ligands for efficient extraction of rare earth elements. This paper...