M Valiev

Marat Valiev 11 collaborations

Xue-Bin Wang 4 collaborations

Gennady N Chuev 3 collaborations

Marina V Fedotova 3 collaborations

T P Straatsma 2 collaborations

Qinqin Yuan 2 collaborations

Wenjin Cao 2 collaborations

Zhengbo Qin 2 collaborations

Gao-Lei Hou 2 collaborations

Zheng Yang 2 collaborations

Daniel Mejia-Rodriguez 2 collaborations

Nicholas P Bauman 2 collaborations

Eric J Bylaska 2 collaborations

Niranjan Govind 2 collaborations

Karol Kowalski 2 collaborations

Ajay Panyala 2 collaborations

Bo Peng 2 collaborations

E Aprà 1 collaboration

E J Bylaska 1 collaboration

W A de Jong 1 collaboration

N Govind 1 collaboration

K Kowalski 1 collaboration

H J J van Dam 1 collaboration

Y Alexeev 1 collaboration

J Anchell 1 collaboration

V Anisimov 1 collaboration

F W Aquino 1 collaboration

R Atta-Fynn 1 collaboration

J Autschbach 1 collaboration

N P Bauman 1 collaboration

J C Becca 1 collaboration

D E Bernholdt 1 collaboration

K Bhaskaran-Nair 1 collaboration

S Bogatko 1 collaboration

P Borowski 1 collaboration

J Boschen 1 collaboration

J Brabec 1 collaboration

A Bruner 1 collaboration

E Cauët 1 collaboration

Y Chen 1 collaboration

G N Chuev 1 collaboration

C J Cramer 1 collaboration

J Daily 1 collaboration

M J O Deegan 1 collaboration

T H Dunning 1 collaboration

M Dupuis 1 collaboration

K G Dyall 1 collaboration

G I Fann 1 collaboration

S A Fischer 1 collaboration

A Fonari 1 collaboration

H Früchtl 1 collaboration

L Gagliardi 1 collaboration

J Garza 1 collaboration

N Gawande 1 collaboration

S Ghosh 1 collaboration

K Glaesemann 1 collaboration

A W Götz 1 collaboration

J Hammond 1 collaboration

V Helms 1 collaboration

E D Hermes 1 collaboration

K Hirao 1 collaboration

S Hirata 1 collaboration

M Jacquelin 1 collaboration

L Jensen 1 collaboration

B G Johnson 1 collaboration

H Jónsson 1 collaboration

R A Kendall 1 collaboration

M Klemm 1 collaboration

R Kobayashi 1 collaboration

V Konkov 1 collaboration

S Krishnamoorthy 1 collaboration

M Krishnan 1 collaboration

Z Lin 1 collaboration

R D Lins 1 collaboration

R J Littlefield 1 collaboration

A J Logsdail 1 collaboration

K Lopata 1 collaboration

W Ma 1 collaboration

A V Marenich 1 collaboration

J Martin Del Campo 1 collaboration

D Mejia-Rodriguez 1 collaboration

J E Moore 1 collaboration

J M Mullin 1 collaboration

T Nakajima 1 collaboration

D R Nascimento 1 collaboration

J A Nichols 1 collaboration

P J Nichols 1 collaboration

J Nieplocha 1 collaboration

A Otero-de-la-Roza 1 collaboration

B Palmer 1 collaboration

A Panyala 1 collaboration

T Pirojsirikul 1 collaboration

B Peng 1 collaboration

R Peverati 1 collaboration

J Pittner 1 collaboration

L Pollack 1 collaboration

R M Richard 1 collaboration

P Sadayappan 1 collaboration

G C Schatz 1 collaboration

W A Shelton 1 collaboration

D W Silverstein 1 collaboration

D M A Smith 1 collaboration

T A Soares 1 collaboration

D Song 1 collaboration

M Swart 1 collaboration

H L Taylor 1 collaboration

G S Thomas 1 collaboration

V Tipparaju 1 collaboration

D G Truhlar 1 collaboration

K Tsemekhman 1 collaboration

T Van Voorhis 1 collaboration

Á Vázquez-Mayagoitia 1 collaboration

P Verma 1 collaboration

O Villa 1 collaboration

A Vishnu 1 collaboration

K D Vogiatzis 1 collaboration

D Wang 1 collaboration

J H Weare 1 collaboration

M J Williamson 1 collaboration

T L Windus 1 collaboration

K Woliński 1 collaboration

A T Wong 1 collaboration

Q Wu 1 collaboration

C Yang 1 collaboration

Q Yu 1 collaboration

M Zacharias 1 collaboration

Z Zhang 1 collaboration

Y Zhao 1 collaboration

R J Harrison 1 collaboration

Gennady Chuev 1 collaboration

Mohammadhasan Dinpajooh 1 collaboration

Hanhui Zhang 1 collaboration

Xiaoguo Zhou 1 collaboration

Steven R Kass 1 collaboration

Qiaolin Wang 1 collaboration

Xianfeng Zheng 1 collaboration

Zhifeng Cui 1 collaboration

Hoshin Kim 1 collaboration

Natalie Sadler 1 collaboration

Xiaolu Li 1 collaboration

Pavlo Bohutskyi 1 collaboration

Wei-Jun Qian 1 collaboration

Margaret S Cheung 1 collaboration

Nitesh Kumawat 1 collaboration

Andrejs Tucs 1 collaboration

Soumen Bera 1 collaboration

Sergey E Kruchinin 1 collaboration

Koji Tsuda 1 collaboration

Adnan Sljoka 1 collaboration

Amit Chakraborty 1 collaboration

Edoardo Aprà 1 collaboration

Jochen Autschbach 1 collaboration

Jeff R Hammond 1 collaboration

Alexander Kunitsa 1 collaboration

John J Rehr 1 collaboration

Huajing Song 1 collaboration

Sergei Tretiak 1 collaboration

Fernando D Vila 1 collaboration

Raymond Bair 1 collaboration

Jeffery S Boschen 1 collaboration

Jeff Daily 1 collaboration

Wibe A de Jong 1 collaboration

Thom Dunning 1 collaboration

Robert J Harrison 1 collaboration

Murat Keçeli 1 collaboration

Kristopher Keipert 1 collaboration

Sriram Krishnamoorthy 1 collaboration

Suraj Kumar 1 collaboration

Erdal Mutlu 1 collaboration

Bruce Palmer 1 collaboration

Ryan M Richard 1 collaboration

Peter Sushko 1 collaboration

Edward F Valeev 1 collaboration

Hubertus J J van Dam 1 collaboration

Jonathan M Waldrop 1 collaboration

David B Williams-Young 1 collaboration

Chao Yang 1 collaboration

Marcin Zalewski 1 collaboration

Theresa L Windus 1 collaboration

Affiliations

Publications (12)

NWChem: Past, present, and future.

Photoelectron Spectroscopy and Theoretical Study on Monosolvated Cyanate Analogue Clusters ECX

Renormalized site density functional theory for models of ion hydration.

Molecular-based analysis of nanoparticle solvation: Classical density functional approach.

Cryogenic "Iodide-Tagging" Photoelectron Spectroscopy: A Sensitive Probe for Specific Binding Sites of Amino Acids.

Properties of Gaseous Deprotonated L-Cysteine S-Sulfate Anion [cysS-SO

PTM-Psi: A python package to facilitate the computational investigation of post-translational modification on protein structures and their impacts on dynamics and functions.

Site Density Functional Theory and Structural Bioinformatics Analysis of the SARS-CoV Spike Protein and hACE2 Complex.

NWChem: Recent and Ongoing Developments.

Distonic radical anion species in cysteine oxidation processes.

Chemical bond effects in classical site density functional theory of inhomogeneous molecular liquids.

From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape.

Réseau de co-auteurs