Seeking opportunities to do modeling and experimental work

LAMMPS LAMMPS Mailing List Mirror
1

Dear fellow LAMMPS users:

I am aware that this list is primarily used for specific technical inquiries about using LAMMPS. On less often occasions, this list has also been used for posting job announcements.

I would like to post a job inquiry to ask anyone whether they know of any places seeking a PhD-level scientist to perform experiments and modeling of polymers. I come from a chemical engineering background, and have used software like AMBER and GROMACS to perform computational chemistry modeling of polymers and proteins. I also have experience in analytical chemistry techniques like dynamic light scattering, viscosity measurements, circular dichroism spectroscopy, and microscopy. Therefore, I am looking for a position where I can continue to build upon my skills, primarily experimentally, as well as contribute my modeling expertise, to help advance research goals of a group.

I had a high degree of independence in completing my PhD on computational modeling of polymers in a medical devices lab. Even when I didn’t have the necessary expertise and resources to complete my modeling work, I was resourceful in establishing collaborations with a computational chemistry lab so I could complete my work. From this exercise I was able to successfully pick up new skills, experimental and computational, very fast with minimal guidance and direction from my PI, as evidenced by my publication record.

I figure the audience of this list is mostly academic and national lab researchers, since LAMMPS is used in those sectors. I would be most appreciative if anyone can inform me of such appropriate openings. Subsequently I would be happy to provide my most up-to-date CV.

Sincerely,
Lili

2

dear ​lili,
​

Dear fellow LAMMPS users:

I am aware that this list is primarily used for specific technical
inquiries about using LAMMPS. On less often occasions, this list has also
been used for posting job announcements.

​
while that is true, this is usually a one-way communication. people that
need to fill a position, but don't have a large established referral
network, prefer to cast a wide net, but they rarely have the time to read
e-mails like yours. the only way that i know to utilize mailing lists to
help getting a job is to be a visibly active contributing member, i.e.
answer a lot of questions in a helpful and competent fashion, if possible
in a way that get's people's attention.
​

I would like to post a job inquiry to ask anyone whether they know of any
places seeking a PhD-level scientist to perform experiments and

​jobs rarely come to you, the more successful approach is to try and get to
them. i.e. research the field for groups that you would like to join and
contact people in that group. if you know people of stature in that field,
that also know you, ask them to introduce you. you want to project
initiative and competence, but not desperation or urgency.​

​HTH,
     axel.​

3

Hello,

I would like to impose displacement to a beam on the right block but i didn’t succeed in doing this following the time. I used displace atoms but it does the displacement before the first step, that’s why the others atoms cannot interact with this part. Could you help me ?

Simon Bourreau

Input file :

units metal

dimension 3

boundary s s s

atom_style atomic

variable latconst equal 3.615

lattice fcc ${latconst}

region nanowire block 0 100 0 6 0 6

create_box 1 nanowire

lattice fcc ${latconst} orient x 1 0 0 orient y 0 1 0 orient z 0 0 1

create_atoms 1 region nanowire

region leftbc block 0 3 0 6 0 6

group leftbc region leftbc

region rightbc block 97 100 0 6 0 6

group rightbc region rightbc

group boundary union leftbc rightbc

group middle_atoms subtract all boundary

mass * 1.0

pair_style lj/cut 6.4

pair_coeff * * 0.1515 2.338

velocity middle_atoms create 0.01 511124 rot yes mom yes

velocity rightbc set 0.03615 0 0

fix 1 middle_atoms nvt temp 0.01 0.01 0.1

fix 2 leftbc setforce 0.0 0.0 0.0

displace_atoms rightbc move 10 0 0

timestep 0.004 #0.005

thermo 100

thermo_style custom step temp

dump 1 all atom 500 project_G1_100_res.txt

dump_modify 1 append yes

run 5000

SIMULATION DONE

print “All done”

4

would you mind reposting your question with a proper subject line.

this will create a new thread and will not confuse people that want to look up the problem later in the mailing list archives.

hijacking a thread in this way is generally considered a bad practice and rather impolite.

thanks,
axel.

5

Lili,

I second Axel in all his points. Only decided to reply to this message to ensure your original post resurfaces while trashing that of the annoying intruder who broke the flow of this thread. I wish you all the best in your job search.

Carlos

6

“annoying intruder who broke the flow of this thread” no idea what you’re talking about

7

The guy who posted his script within your job request thread… how did you miss that? Would have expected you to be the most upset person about this…

Carlos

8

Who said I wasn’t exploring other avenues of the job search? I had inquired Steve Plimpton in advance to request whether I could send such a message to the list, and he had approved my idea of sending an email out. This was a shot in the dark, and - mind you - I DID receive some responses from the audience (thank you!). Thank you guys from the LAMMPS list!

And to point out someone’s perceived “desperation and urgency” from a mailing list, reply all to the LAMMPS list, is pretty infantile behavior. Similar to the way you pick on other people’s posts.

9

Lili,
I am going to dig in at the risk of getting in the middle of an argument. I
don't know any of you two, but I would say that Axel's response to you was
just plain advice (you even got a "Dear Lili" opening sentence from him
which is certainly not his usual start). Personally, I did not sense any
special animosity towards you. "Desperation and urgency" are in the eyes of
the beholder in my opinion. Email is a pretty bad tool to sense people's
feelings. Said this, I know for good that Axel's replies can be quite
nasty yet, who cares?, he also provides great advice and is highly
committed to this list. On the positive side realize you will not have to
date him, or marry him, or be his roommate, or, after your response here,
you will probably never end up being his protege or collaborator!
Carlos

10

Thank you for reassuring me that I do not have to marry him.

11

ok - I’ve been sometimes smiling, sometimes wincing
thru this thread. I think any further posts should be sent off-line.

To summarize, it’s fine for Lili or others to post looking-for-a-job
requests. If the list subscribers can help with that, it’s great, and I think
the number of them will be small, so those emails can simply
be ignored by those not interested.

I encourage everyone to also observe mail list etiquette. Which
is that if you have something personal or critical (hopefully constructive)
to say to an individual, it’s best to do it in a private email,
not broadcast it to the list.

No one should mind a bit of humor, but don’t make it

both personal and public, else feelings get hurt.

thanks,
Steve